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

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[2,5-dimethyl-3-[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]pyrrol-1-yl]propionic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-12-5-6-16-17(9-12)22-20(21-16)27-11-18(24)15-10-13(2)23(14(15)3)8-7-19(25)26-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,22)