methyl (4S)-2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: methyl (4S)-2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S)-2-methyl-4-(3-methylbenzothiophen-2-yl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-4-(3-methyl-1-benzothiophen-2-yl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(3-methylbenzothiophen-2-yl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C3C4C(=NC(=C3C(=O)OC)C)CCCC4=O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)[C@H]3C4C(=NC(=C3C(=O)OC)C)CCCC4=O

InChI

InChI=1S/C21H21NO3S/c1-11-13-7-4-5-10-16(13)26-20(11)19-17(21(24)25-3)12(2)22-14-8-6-9-15(23)18(14)19/h4-5,7,10,18-19H,6,8-9H2,1-3H3/t18?,19-/m1/s1