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

Systemtic Name: methyl 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCCC3=CCCCC3

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C21H24N2O4S/c1-27-21(26)18-19(25)15-9-5-6-10-16(15)23-20(18)28-13-17(24)22-12-11-14-7-3-2-4-8-14/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,22,24)(H,23,25)