[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 3,4-diethoxybenzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H25NO5S/c1-3-25-18-11-10-16(14-19(18)26-4-2)21(24)27-15-20(23)22-12-13-28-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,23)