[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)COC(=O)C2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C19H25N3O4S/c1-11(2)6-7-22-12(3)8-15(13(22)4)17(24)9-26-18(25)16-10-27-19(21-16)20-14(5)23/h8,10-11H,6-7,9H2,1-5H3,(H,20,21,23)