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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C19H24N2O7S2 MolecularWeight: 456.53306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O7S2/c1-26-15-6-5-14(12-16(15)27-2)7-9-20-17(22)13-28-18(23)8-10-21-30(24,25)19-4-3-11-29-19/h3-6,11-12,21H,7-10,13H2,1-2H3,(H,20,22)