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

Systemtic Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4-thiophen-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3-thiophenyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-3-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7-(2-methoxyphenyl)-2-methyl-4-(3-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H29NO4S2 MolecularWeight: 483.64276

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CSC=C3)C4=CC=CC=C4OC)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CSC=C3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C26H29NO4S2/c1-4-32-12-10-31-26(29)23-16(2)27-20-13-18(19-7-5-6-8-22(19)30-3)14-21(28)25(20)24(23)17-9-11-33-15-17/h5-9,11,13,15,18,24-25,27H,4,10,12,14H2,1-3H3