ethyl 1-[(2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[(2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinolin-4-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-[1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carbonyl]nipecotic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C)C4=CC=CS4

InChI

InChI=1S/C23H26N2O4S/c1-3-29-23(28)15-8-6-12-25(14-15)22(27)19-16-9-4-5-10-17(16)21(26)24(2)20(19)18-11-7-13-30-18/h4-5,7,9-11,13,15,19-20H,3,6,8,12,14H2,1-2H3