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

Systemtic Name: 3-methyl-7-oxidanylidene-6-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 6-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-3-methyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 6-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-3-methyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 6-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-3-methyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 6-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-7-keto-3-methyl-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C16H15N2O6S+ MolecularWeight: 363.3651

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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)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6S/c1-8-7-18(16(23)24)13(20)11(14(18)25-8)17-12(19)10(15(21)22)9-5-3-2-4-6-9/h2-7,10-11,14H,1H3,(H2-,17,19,21,22,23,24)/p+1