[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C20H25N3O4S/c1-13(24)22-18-17(14-7-3-4-8-15(14)28-18)19(26)27-11-16(25)23-20(12-21)9-5-2-6-10-20/h2-11H2,1H3,(H,22,24)(H,23,25)