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

Systemtic Name: methyl (4S,4aR,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,4aR,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aR,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aR,7S)-4-(3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aR,7S)-5-keto-4-(3-methoxyphenyl)-2-methyl-7-(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(=CC=C3)OC)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C[C@H](CC(=O)[C@@H]2[C@@H](C1C(=O)OC)C3=CC(=CC=C3)OC)C4=CC=CS4

InChI

InChI=1S/C23H23NO4S/c1-13-20(23(26)28-3)21(14-6-4-7-16(10-14)27-2)22-17(24-13)11-15(12-18(22)25)19-8-5-9-29-19/h4-11,15,20-22H,12H2,1-3H3/t15-,20?,21-,22-/m1/s1