methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-26-20(25)17-18(24)14-9-5-6-10-15(14)22-19(17)27-12-16(23)21-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,21,23)(H,22,24)