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

Systemtic Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-4-(4-ketochromen-3-yl)-7-(2-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C31H31NO6S MolecularWeight: 545.64594

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)C5=CC=CC=C5OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)C5=CC=CC=C5OC)C

InChI

InChI=1S/C31H31NO6S/c1-4-39-14-13-37-31(35)27-18(2)32-23-15-19(20-9-5-7-11-25(20)36-3)16-24(33)29(23)28(27)22-17-38-26-12-8-6-10-21(26)30(22)34/h5-12,17,19,28,32H,4,13-16H2,1-3H3