methyl 6-chloranyl-4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1H-quinoline-3-carboxylate Openeye Name: methyl 2-(2-anilino-2-oxo-ethyl)sulfanyl-6-chloro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-6-chloro-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-anilino-2-oxoethyl)sulfanyl-6-chloro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-6-chloro-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Cl)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Cl)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H15ClN2O4S/c1-26-19(25)16-17(24)13-9-11(20)7-8-14(13)22-18(16)27-10-15(23)21-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,23)(H,22,24)