methyl 4-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrrol-1-yl]butanoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]pyrrol-1-yl]butyric acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)CCCC(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=C(N(C(=C3)C)CCCC(=O)OC)C

InChI

InChI=1S/C21H25N3O3S/c1-13-7-8-17-18(10-13)23-21(22-17)28-12-19(25)16-11-14(2)24(15(16)3)9-5-6-20(26)27-4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,22,23)