(4-methoxycarbonylphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H22N2O4S/c1-12(2)8-9-19-18-20-15(11-25-18)17(22)24-10-13-4-6-14(7-5-13)16(21)23-3/h4-7,11-12H,8-10H2,1-3H3,(H,19,20)