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

Systemtic Name: 4-methyl-2-(3-pentoxyphenyl)-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-(3-pentoxyphenyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3-pentoxyphenyl)-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-(3-pentoxyphenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-amoxyphenyl)-4-methyl-thiazole-5-carboxylate Formula: C16H18NO3S- MolecularWeight: 304.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C16H19NO3S/c1-3-4-5-9-20-13-8-6-7-12(10-13)15-17-11(2)14(21-15)16(18)19/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)/p-1