ethyl 4-[1-butyl-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[1-butyl-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(allylcarbamoyl)-1-butyl-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-butyl-5-methyl-4-[oxo-(prop-2-enylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-butyl-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(allylcarbamoyl)-1-butyl-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCC=C)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCC=C)C

InChI

InChI=1S/C19H25N3O3S/c1-5-8-10-22-13(4)14(17(23)20-9-6-2)11-16(22)15-12-26-18(21-15)19(24)25-7-3/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,20,23)