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

Systemtic Name: methyl 3-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C20H23N3O4S/c1-12-9-15(13(2)23(12)8-7-19(25)27-4)18(24)11-28-20-21-16-6-5-14(26-3)10-17(16)22-20/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,22)