butyl 2-(2-cyanoethanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-(2-cyanoethanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(2-cyanoacetyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-cyanoacetyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-cyanoacetyl)amino]benzothiophene-3-carboxylic acid butyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC#N

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC#N

InChI

InChI=1S/C16H16N2O3S/c1-2-3-10-21-16(20)14-11-6-4-5-7-12(11)22-15(14)18-13(19)8-9-17/h4-7H,2-3,8,10H2,1H3,(H,18,19)