[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-(5-morpholinosulfonyl-2-thienyl)acetate CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-morpholinosulfonyl-2-thienyl)acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H26N2O8S2 MolecularWeight: 498.56974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C21H26N2O8S2/c1-28-17-5-3-15(11-18(17)29-2)13-22-19(24)14-31-20(25)12-16-4-6-21(32-16)33(26,27)23-7-9-30-10-8-23/h3-6,11H,7-10,12-14H2,1-2H3,(H,22,24)