methyl 2-[2-(benzotriazol-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(benzotriazol-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H12N4O3S/c1-21-14(20)9-6-7-22-13(9)15-12(19)8-18-11-5-3-2-4-10(11)16-17-18/h2-7H,8H2,1H3,(H,15,19)