6-azanyl-1-methyl-7-(3-methylphenyl)sulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-azanyl-1-methyl-7-(3-methylphenyl)sulfanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-amino-1-methyl-7-(m-tolylsulfanyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-amino-1-methyl-7-[(3-methylphenyl)thio]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-amino-1-methyl-7-(3-methylphenyl)sulfanyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-amino-4-keto-1-methyl-7-(m-tolylthio)quinoline-3-carboxylic acid Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C)N

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C)N

InChI

InChI=1S/C18H16N2O3S/c1-10-4-3-5-11(6-10)24-16-8-15-12(7-14(16)19)17(21)13(18(22)23)9-20(15)2/h3-9H,19H2,1-2H3,(H,22,23)