ethyl 1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]piperidine-3-carboxylate CAS Name: 1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]nipecotic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

InChI

InChI=1S/C21H29N3O3S/c1-3-27-21(26)15-5-4-9-24(13-15)10-8-19(25)23-20-17(12-22)16-7-6-14(2)11-18(16)28-20/h14-15H,3-11,13H2,1-2H3,(H,23,25)