methyl 2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H16N4O3S/c1-27-20(26)15-10-11-28-19(15)21-18(25)14-8-6-13(7-9-14)12-24-17-5-3-2-4-16(17)22-23-24/h2-11H,12H2,1H3,(H,21,25)