methyl (4R,4aS,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4R,4aS,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4R,4aS,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2-thienyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,4aS,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,4aS,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,4aS,7S)-5-keto-7-(2-methoxyphenyl)-2-methyl-4-(2-thienyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(CC(=O)C2C(C1C(=O)OC)C3=CC=CS3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC2=C[C@H](CC(=O)[C@H]2[C@H](C1C(=O)OC)C3=CC=CS3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H23NO4S/c1-13-20(23(26)28-3)22(19-9-6-10-29-19)21-16(24-13)11-14(12-17(21)25)15-7-4-5-8-18(15)27-2/h4-11,14,20-22H,12H2,1-3H3/t14-,20?,21+,22+/m1/s1