ethyl 5-[(4-heptylphenyl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-heptylphenyl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[(4-heptylbenzoyl)amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(4-heptylphenyl)-oxomethyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-heptylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[(4-heptylbenzoyl)amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C(C(=NS2)C)C(=O)OCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=C(C(=NS2)C)C(=O)OCC

InChI

InChI=1S/C21H28N2O3S/c1-4-6-7-8-9-10-16-11-13-17(14-12-16)19(24)22-20-18(15(3)23-27-20)21(25)26-5-2/h11-14H,4-10H2,1-3H3,(H,22,24)