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

Systemtic Name: butyl (4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: butyl (4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid butyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO5S/c1-5-6-11-33-27(30)24-16(2)28-19-13-18(17-9-10-21(31-3)22(15-17)32-4)14-20(29)25(19)26(24)23-8-7-12-34-23/h7-10,12,15,18,24,26H,5-6,11,13-14H2,1-4H3/t18-,24?,26-/m0/s1