methyl 4-[3-[2-(4-acetamidophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[3-[2-(4-acetamidophenyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-[(4-acetamidophenyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CSC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-14-12-19(15(2)23(14)11-5-6-21(26)27-4)20(25)13-28-18-9-7-17(8-10-18)22-16(3)24/h7-10,12H,5-6,11,13H2,1-4H3,(H,22,24)