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

Systemtic Name: ethyl 4-[1-(furan-2-ylmethyl)-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(allylcarbamoyl)-1-(2-furylmethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-(2-furanylmethyl)-5-methyl-4-[oxo-(prop-2-enylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(furan-2-ylmethyl)-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(allylcarbamoyl)-1-(2-furfuryl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC3=CC=CO3)C)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC3=CC=CO3)C)C(=O)NCC=C

InChI

InChI=1S/C20H21N3O4S/c1-4-8-21-18(24)15-10-17(16-12-28-19(22-16)20(25)26-5-2)23(13(15)3)11-14-7-6-9-27-14/h4,6-7,9-10,12H,1,5,8,11H2,2-3H3,(H,21,24)