3-methyl-8-oxidanylidene-7-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[(4-phenyl-2-imidazolin-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC3=NCC(N3)C4=CC=CC=C4)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC3=NCC(N3)C4=CC=CC=C4)SC1)C(=O)O

InChI

InChI=1S/C17H18N4O3S/c1-9-8-25-15-12(14(22)21(15)13(9)16(23)24)20-17-18-7-11(19-17)10-5-3-2-4-6-10/h2-6,11-12,15H,7-8H2,1H3,(H,23,24)(H2,18,19,20)