propyl (4S,4aS)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propyl (4S,4aS)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S,4aS)-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S,4aS)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,4aS)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2,7,7-trimethyl-4-(2-thienyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2CC(CC(=O)C2C1C3=CC=CS3)(C)C)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2CC(CC(=O)[C@H]2[C@@H]1C3=CC=CS3)(C)C)C

InChI

InChI=1S/C20H25NO3S/c1-5-8-24-19(23)16-12(2)21-13-10-20(3,4)11-14(22)17(13)18(16)15-7-6-9-25-15/h6-7,9,17-18H,5,8,10-11H2,1-4H3/t17-,18+/m0/s1