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

Systemtic Name: methyl 2-[[cyclopropyl-(4-hexylphenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[cyclopropyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[(4-hexylphenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[cyclopropyl-(4-hexylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-(4-hexylbenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-3-4-5-6-7-16-8-10-17(11-9-16)21(25)24(18-12-13-18)14-20-23-19(15-28-20)22(26)27-2/h8-11,15,18H,3-7,12-14H2,1-2H3