cycloheptyl 2-methylidene-5-oxidanylidene-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: cycloheptyl 2-methylidene-5-oxidanylidene-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: cycloheptyl 2-methylene-5-oxo-4-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 2-methylidene-5-oxo-4-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC=CS3)C(=O)OC4CCCCCC4

Isomeric SMILES

C=C1C(C(C2=C(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/h7,12-13,15,19,21,23H,1-6,8-11H2