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

Systemtic Name: methyl 3-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H17N3O3S/c1-11-7-8-12(17(23)24-2)9-15(11)19-16(22)10-25-18-20-13-5-3-4-6-14(13)21-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)