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

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4,7-bis(2-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=CC=CS3)C(=O)CC(C2)C4=CC=CS4)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CS3)C(=O)C[C@@H](C2)C4=CC=CS4)C

InChI

InChI=1S/C23H25NO3S3/c1-3-28-11-8-27-23(26)20-14(2)24-16-12-15(18-6-4-9-29-18)13-17(25)21(16)22(20)19-7-5-10-30-19/h4-7,9-10,15,22,24H,3,8,11-13H2,1-2H3/t15-,22-/m1/s1