methyl 3-[2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-(5-chloranyl-1-methyl-benzimidazol-2-yl)sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(5-chloro-1-methyl-benzimidazol-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-chloro-1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-chloro-1-methyl-benzimidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(N2C)C=CC(=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=C(N2C)C=CC(=C3)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-11-4-5-12(18(25)26-3)8-14(11)21-17(24)10-27-19-22-15-9-13(20)6-7-16(15)23(19)2/h4-9H,10H2,1-3H3,(H,21,24)