2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-2-methylidene-5-oxidanylidene-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-2-methylene-5-oxo-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-methylene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-2-methylidene-5-oxo-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-p-phenetyl-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H31NO4S2 MolecularWeight: 497.66934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CS4)C(=O)OCCSCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CS4)C(=O)OCCSCC

InChI

InChI=1S/C27H31NO4S2/c1-4-31-20-10-8-18(9-11-20)25-24(27(30)32-12-14-33-5-2)17(3)28-21-15-19(16-22(29)26(21)25)23-7-6-13-34-23/h6-11,13,19,24-25,28H,3-5,12,14-16H2,1-2H3