7-[(2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoyl)amino]-3-bromanyl-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-bromanyl-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-bromo-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]-3-bromo-8-oxo-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-bromo-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-bromo-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16BrN3O4S MolecularWeight: 414.27424

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)C(C(=O)NC2C3N(C2=O)C(=C(CS3)Br)C(=O)O)N

Isomeric SMILES

C1C=CCC(=C1)C(C(=O)NC2C3N(C2=O)C(=C(CS3)Br)C(=O)O)N

InChI

InChI=1S/C15H16BrN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-2,5,9-10,14H,3-4,6,17H2,(H,18,20)(H,22,23)