[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 1-benzothiophene-2-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C25H26N2O4S/c1-17(2)12-21(31-25(29)23-13-19-10-6-7-11-22(19)32-23)24(28)27-20(14-26)16-30-15-18-8-4-3-5-9-18/h3-11,13,17,20-21H,12,15-16H2,1-2H3,(H,27,28)