(6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-(2-azanylethylsulfonylmethyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[3-(2-azanylethylsulfonylmethyl)pyridin-4-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[[3-(2-aminoethylsulfonylmethyl)-4-pyridyl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[[3-(2-aminoethylsulfonylmethyl)-4-pyridinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[3-(2-aminoethylsulfonylmethyl)pyridin-4-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[3-(taurylmethyl)-4-pyridyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H20ClN7O7S4 MolecularWeight: 634.1285

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CS(=O)(=O)CCN

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\O)/C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CS(=O)(=O)CCN

InChI

InChI=1S/C20H20ClN7O7S4/c21-15-11(26-20(23)38-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(6-36-18(13)28)37-9-1-3-24-5-8(9)7-39(34,35)4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)/b27-12-/t13-,18-/m1/s1