cyclohexyl (4S)-2-methyl-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-2-methyl-5-oxidanylidene-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-2-methyl-5-oxo-4-(3-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(3-thiophenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-2-methyl-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(3-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CSC=C4)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCCC3)C4=CSC=C4)C(=O)CCC2

InChI

InChI=1S/C21H25NO3S/c1-13-18(21(24)25-15-6-3-2-4-7-15)19(14-10-11-26-12-14)20-16(22-13)8-5-9-17(20)23/h10-12,15,18-19H,2-9H2,1H3/t18?,19-/m0/s1