ethyl 2-[[cyclopropyl-(4-hexylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[cyclopropyl-(4-hexylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclopropyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclopropyl-(4-hexylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=NC(=CS2)C(=O)OCC)C3CC3

InChI

InChI=1S/C23H30N2O3S/c1-3-5-6-7-8-17-9-11-18(12-10-17)22(26)25(19-13-14-19)15-21-24-20(16-29-21)23(27)28-4-2/h9-12,16,19H,3-8,13-15H2,1-2H3