2-[2-[(3-ethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(3-ethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-[(3-ethoxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-[(3-ethoxybenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC(=O)CC2=NC(=C(S2)C(=O)O)C

InChI

InChI=1S/C16H18N2O4S/c1-3-22-12-6-4-5-11(7-12)9-17-13(19)8-14-18-10(2)15(23-14)16(20)21/h4-7H,3,8-9H2,1-2H3,(H,17,19)(H,20,21)