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

Systemtic Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methylidene-5-oxidanylidene-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methylene-5-oxo-4-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 7-(2-methoxyphenyl)-2-methylene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 7-(2-methoxyphenyl)-2-methylidene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-7-(2-methoxyphenyl)-2-methylene-4-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H29NO4S2 MolecularWeight: 483.64276

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3OC)NC1=C)C4=CC=CS4

Isomeric SMILES

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3OC)NC1=C)C4=CC=CS4

InChI

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