(6R,7R)-3-[(E)-3-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]prop-1-enyl]-7-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[(E)-3-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]prop-1-enyl]-7-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[(E)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]prop-1-enyl]-7-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[(E)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)thio]prop-1-enyl]-7-[[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(E)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]prop-1-enyl]-7-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-[(E)-3-[(2-amino-6-keto-1H-pyrimidin-4-yl)thio]prop-1-enyl]-7-[[2-[(2,5-dichlorophenyl)thio]acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H19Cl2N5O5S3 MolecularWeight: 600.51776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C(=O)O)C=CCSC4=CC(=O)NC(=N4)N

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3=C(C=CC(=C3)Cl)Cl)C(=O)O)/C=C/CSC4=CC(=O)NC(=N4)N

InChI

InChI=1S/C22H19Cl2N5O5S3/c23-11-3-4-12(24)13(6-11)36-9-15(31)26-17-19(32)29-18(21(33)34)10(8-37-20(17)29)2-1-5-35-16-7-14(30)27-22(25)28-16/h1-4,6-7,17,20H,5,8-9H2,(H,26,31)(H,33,34)(H3,25,27,28,30)/b2-1+/t17-,20-/m1/s1