methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S2/c1-13-18(14-8-4-3-5-9-14)19(21(27)28-2)20(30-13)25-17(26)12-29-22-23-15-10-6-7-11-16(15)24-22/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)