4-methyl-2-[(4-pentoxyphenyl)methylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[(4-pentoxyphenyl)methylamino]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[(4-pentoxyphenyl)methylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[(4-pentoxyphenyl)methylamino]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[(4-pentoxyphenyl)methylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-amoxybenzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C17H21N2O3S- MolecularWeight: 333.42524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CNC2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CNC2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C17H22N2O3S/c1-3-4-5-10-22-14-8-6-13(7-9-14)11-18-17-19-12(2)15(23-17)16(20)21/h6-9H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)/p-1