2-ethylsulfanylethyl (4R)-4-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(4-dimethylaminophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-4-(4-dimethylaminophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H30N2O3S/c1-5-29-14-13-28-23(27)20-15(2)24-18-7-6-8-19(26)22(18)21(20)16-9-11-17(12-10-16)25(3)4/h9-12,20-21H,5-8,13-14H2,1-4H3/t20?,21-/m0/s1