2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-7-phenyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCSCC)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C3=C(C[C@H](CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCSCC)C

InChI

InChI=1S/C30H35NO4S/c1-4-15-34-26-14-10-9-13-23(26)28-27(30(33)35-16-17-36-5-2)20(3)31-24-18-22(19-25(32)29(24)28)21-11-7-6-8-12-21/h6-14,22,28,31H,4-5,15-19H2,1-3H3/t22-,28-/m1/s1