methyl N-[6-[4-(cyanomethyl)thiophen-2-yl]carbonyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-(cyanomethyl)thiophen-2-yl]carbonyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-(cyanomethyl)thiophene-2-carbonyl]-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-(cyanomethyl)-2-thiophenyl]-oxomethyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-(cyanomethyl)thiophene-2-carbonyl]-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[4-(cyanomethyl)thiophene-2-carbonyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC(=CS3)CC#N

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC(=CS3)CC#N

InChI

InChI=1S/C16H12N4O3S/c1-23-16(22)20-15-18-11-3-2-10(7-12(11)19-15)14(21)13-6-9(4-5-17)8-24-13/h2-3,6-8H,4H2,1H3,(H2,18,19,20,22)