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

Systemtic Name: methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-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=CC=CS3)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC=CS3)C(=O)CC(C2)(C)C

InChI

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