3-ethenyl-8-oxidanylidene-7-[2-(phenylmethylsulfanyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-ethenyl-8-oxidanylidene-7-[2-(phenylmethylsulfanyl)ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-benzylsulfanylacetyl)amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-ethenyl-8-oxo-7-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-benzylsulfanylacetyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(benzylthio)acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C18H18N2O4S2/c1-2-12-9-26-17-14(16(22)20(17)15(12)18(23)24)19-13(21)10-25-8-11-6-4-3-5-7-11/h2-7,14,17H,1,8-10H2,(H,19,21)(H,23,24)