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

Systemtic Name: methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CSC=C3)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CSC=C3)C(=O)CC(C2)(C)C

InChI

InChI=1S/C18H21NO3S/c1-10-14(17(21)22-4)15(11-5-6-23-9-11)16-12(19-10)7-18(2,3)8-13(16)20/h5-6,9,14-15H,7-8H2,1-4H3/t14?,15-/m0/s1