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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-7-(2-thienyl)-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-7-(2-thienyl)-4-(3-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H25NO3S3 MolecularWeight: 459.6445

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=CSC=C3)C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CSC=C3)C(=O)C[C@@H](C2)C4=CC=CS4)C

InChI

InChI=1S/C23H25NO3S3/c1-3-28-10-7-27-23(26)20-14(2)24-17-11-16(19-5-4-8-30-19)12-18(25)22(17)21(20)15-6-9-29-13-15/h4-6,8-9,13,16,21,24H,3,7,10-12H2,1-2H3/t16-,21-/m1/s1