7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-enyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-allyloxyimino-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-[(1-allyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-8-oxo-3-[[(1-prop-2-enyl-5-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-allyloximino-2-(2-formamidothiazol-4-yl)acetyl]amino]-3-[[(1-allyltetrazol-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H21N9O6S3 MolecularWeight: 591.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC=C)C4=CSC(=N4)NC=O)SC2)C(=O)O

Isomeric SMILES

C=CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCC=C)/C4=CSC(=N4)NC=O)SC2)C(=O)O

InChI

InChI=1S/C21H21N9O6S3/c1-3-5-29-21(25-27-28-29)39-8-11-7-37-18-14(17(33)30(18)15(11)19(34)35)24-16(32)13(26-36-6-4-2)12-9-38-20(23-12)22-10-31/h3-4,9-10,14,18H,1-2,5-8H2,(H,24,32)(H,34,35)(H,22,23,31)/b26-13+