2-ethylsulfanylethyl 4-(6-chloranyl-4-oxidanylidene-chromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(6-chloranyl-4-oxidanylidene-chromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(6-chloro-4-oxo-chromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(6-chloro-4-oxo-1-benzopyran-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(6-chloro-4-oxochromen-3-yl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(6-chloro-4-keto-chromen-3-yl)-5-keto-7-(3-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H30ClNO6S MolecularWeight: 580.091

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)CC(C2)C5=CC(=CC=C5)OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)CC(C2)C5=CC(=CC=C5)OC)C

InChI

InChI=1S/C31H30ClNO6S/c1-4-40-11-10-38-31(36)27-17(2)33-24-13-19(18-6-5-7-21(12-18)37-3)14-25(34)29(24)28(27)23-16-39-26-9-8-20(32)15-22(26)30(23)35/h5-9,12,15-16,19,28,33H,4,10-11,13-14H2,1-3H3