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

Systemtic Name: ethyl (4S,7R)-7-(4-dimethylaminophenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,7R)-7-(4-dimethylaminophenyl)-2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-7-(4-dimethylaminophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,7R)-7-(4-dimethylaminophenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-7-(4-dimethylaminophenyl)-5-keto-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)N(C)C)N=C1C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(C[C@H](CC2=O)C3=CC=C(C=C3)N(C)C)N=C1C)C4=CC=CS4

InChI

InChI=1S/C25H28N2O3S/c1-5-30-25(29)22-15(2)26-19-13-17(16-8-10-18(11-9-16)27(3)4)14-20(28)23(19)24(22)21-7-6-12-31-21/h6-12,17,22,24H,5,13-14H2,1-4H3/t17-,22?,24+/m1/s1