cycloheptyl (4R,4aS)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl (4R,4aS)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cycloheptyl (4R,4aS)-2-methyl-5-oxo-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aS)-2-methyl-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4R,4aS)-2-methyl-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aS)-5-keto-2-methyl-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC=CS3)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)CCCC2=O)C3=CC=CS3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C22H27NO3S/c1-14-19(22(25)26-15-8-4-2-3-5-9-15)21(18-12-7-13-27-18)20-16(23-14)10-6-11-17(20)24/h7,12-13,15,20-21H,2-6,8-11H2,1H3/t20-,21-/m0/s1