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

Systemtic Name: 7-[2-(2-aminophenyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)O

InChI

InChI=1S/C15H15N3O4S/c16-9-4-2-1-3-8(9)7-11(19)17-12-13(20)18-10(15(21)22)5-6-23-14(12)18/h1-5,12,14H,6-7,16H2,(H,17,19)(H,21,22)