3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C18H17N3O4S/c1-10-3-4-11(17(23)24)7-14(10)19-16(22)9-26-18-20-13-6-5-12(25-2)8-15(13)21-18/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)