6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid

Systemtic Name: 6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 6-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 6-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 6-[(2-amino-2-phenylacetyl)amino]-3-methyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 6-[(2-amino-2-phenyl-acetyl)amino]-7-keto-3-methyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C15H16N3O4S+ MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2(C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

CC1=C[N+]2(C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C15H15N3O4S/c1-8-7-18(15(21)22)13(20)11(14(18)23-8)17-12(19)10(16)9-5-3-2-4-6-9/h2-7,10-11,14H,16H2,1H3,(H-,17,19,21,22)/p+1