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

Systemtic Name: methyl 4-[2,5-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-(2-phenylthiazol-4-yl)pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-(2-phenyl-4-thiazolyl)-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-(2-phenyl-1,3-thiazol-4-yl)pyrrol-1-yl]butanoate Traditional Name: 4-[2,5-dimethyl-3-(2-phenylthiazol-4-yl)pyrrol-1-yl]butyric acid methyl ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S/c1-14-12-17(15(2)22(14)11-7-10-19(23)24-3)18-13-25-20(21-18)16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11H2,1-3H3