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

Systemtic Name: methyl 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C19H22N2O4S/c1-25-19(24)16-17(23)13-9-5-6-10-14(13)21-18(16)26-11-15(22)20-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,20,22)(H,21,23)