methyl (4R)-4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-4-(5-ethyl-2-thienyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(5-ethyl-2-thiophenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(5-ethyl-2-thienyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

Isomeric SMILES

CCC1=CC=C(S1)[C@@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

InChI

InChI=1S/C20H25NO3S/c1-6-12-7-8-15(25-12)18-16(19(23)24-5)11(2)21-13-9-20(3,4)10-14(22)17(13)18/h7-8,17-18H,6,9-10H2,1-5H3/t17?,18-/m0/s1