propyl (4S,4aR,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: propyl (4S,4aR,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: propyl (4S,4aR,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,4aR,7R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR,7R)-4-(3-hydroxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2CC(CC(=O)C2C1C3=CC(=CC=C3)O)C4=CC=CS4)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2C[C@H](CC(=O)[C@@H]2[C@H]1C3=CC(=CC=C3)O)C4=CC=CS4)C

InChI

InChI=1S/C24H25NO4S/c1-3-9-29-24(28)21-14(2)25-18-12-16(20-8-5-10-30-20)13-19(27)23(18)22(21)15-6-4-7-17(26)11-15/h4-8,10-11,16,22-23,26H,3,9,12-13H2,1-2H3/t16-,22+,23-/m1/s1