methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C16H15N3O3S2/c1-9-7-10(15(21)22-2)14(24-9)19-13(20)8-23-16-17-11-5-3-4-6-12(11)18-16/h3-7H,8H2,1-2H3,(H,17,18)(H,19,20)