7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(1-propyl-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-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(1-propyl-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-aminothiazol-4-yl)acetyl]amino]-8-oxo-3-[(1-propyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-8-oxo-3-[[(1-propyl-5-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-8-oxo-3-[(1-propyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-allyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-3-[[(1-propyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H23N9O5S3 MolecularWeight: 565.64892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOCC=C)C4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

CCCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OCC=C)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C20H23N9O5S3/c1-3-5-28-20(24-26-27-28)37-8-10-7-35-17-13(16(31)29(17)14(10)18(32)33)23-15(30)12(25-34-6-4-2)11-9-36-19(21)22-11/h4,9,13,17H,2-3,5-8H2,1H3,(H2,21,22)(H,23,30)(H,32,33)/b25-12+