[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

InChI

InChI=1S/C20H20N2O3S2/c1-12-8-18(13(2)21-12)19(23)9-25-20(24)15-4-6-17(7-5-15)27-11-16-10-26-14(3)22-16/h4-8,10,21H,9,11H2,1-3H3