methyl (6R)-6-tert-butyl-2-(2-cyanoethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-6-tert-butyl-2-(2-cyanoethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-tert-butyl-2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-tert-butyl-2-[(2-cyano-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-tert-butyl-2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-tert-butyl-2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC#N

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC#N

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)10-5-6-11-12(9-10)23-15(14(11)16(21)22-4)19-13(20)7-8-18/h10H,5-7,9H2,1-4H3,(H,19,20)/t10-/m1/s1