methyl 3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(1H-benzimidazol-2-ylmethylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(1H-benzimidazol-2-ylmethylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H19N3O3S/c1-12-7-8-13(19(24)25-2)9-16(12)22-18(23)11-26-10-17-20-14-5-3-4-6-15(14)21-17/h3-9H,10-11H2,1-2H3,(H,20,21)(H,22,23)