[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C17H19NO7S2 MolecularWeight: 413.46526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CS2)OC

InChI

InChI=1S/C17H19NO7S2/c1-23-14-6-5-12(10-15(14)24-2)13(19)11-25-16(20)7-8-18-27(21,22)17-4-3-9-26-17/h3-6,9-10,18H,7-8,11H2,1-2H3