4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]ethylamino]-4-keto-butyrate Formula: C17H19N2O5S- MolecularWeight: 363.40816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CCNC(=O)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CCNC(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C17H20N2O5S/c1-23-13-4-3-11(9-14(13)24-2)17-19-12(10-25-17)7-8-18-15(20)5-6-16(21)22/h3-4,9-10H,5-8H2,1-2H3,(H,18,20)(H,21,22)/p-1