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

Systemtic Name: ethyl 4-[1-butyl-4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-butyl-4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-butyl-4-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-butyl-4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-butyl-4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCCC3=CCCCC3)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCCC3=CCCCC3)C

InChI

InChI=1S/C24H33N3O3S/c1-4-6-14-27-17(3)19(22(28)25-13-12-18-10-8-7-9-11-18)15-21(27)20-16-31-23(26-20)24(29)30-5-2/h10,15-16H,4-9,11-14H2,1-3H3,(H,25,28)