2-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(2,5-dimethoxybenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C16H17N2O5S- MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC(=O)NCC2=C(C=CC(=C2)OC)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC(=O)NCC2=C(C=CC(=C2)OC)OC)C(=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-9-15(16(20)21)24-14(18-9)7-13(19)17-8-10-6-11(22-2)4-5-12(10)23-3/h4-6H,7-8H2,1-3H3,(H,17,19)(H,20,21)/p-1