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

Systemtic Name: 2-[2-[(3,4-diethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[(3,4-diethoxyphenyl)methylamino]-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[(3,4-diethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[(3,4-diethoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(3,4-diethoxybenzyl)amino]-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C18H21N2O5S- MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CC2=NC(=C(S2)C(=O)[O-])C)OCC

InChI

InChI=1S/C18H22N2O5S/c1-4-24-13-7-6-12(8-14(13)25-5-2)10-19-15(21)9-16-20-11(3)17(26-16)18(22)23/h6-8H,4-5,9-10H2,1-3H3,(H,19,21)(H,22,23)/p-1