7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-but-3-enoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-but-3-enoyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-3-but-3-enoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-(1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-8-oxo-3-(1-oxobut-3-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-but-3-enoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino]-3-but-3-enoyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)C1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

Isomeric SMILES

C=CCC(=O)C1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

InChI

InChI=1S/C19H21N3O5S/c1-2-6-12(23)11-9-28-18-14(17(25)22(18)15(11)19(26)27)21-16(24)13(20)10-7-4-3-5-8-10/h2-4,8,13-14,18H,1,5-7,9,20H2,(H,21,24)(H,26,27)