[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethylsulfanyl)ethanoate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(phenylmethylsulfanyl)ethanoate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 2-benzylsulfanylacetate CAS Name: 2-(phenylmethylthio)acetic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-benzylsulfanylacetate Traditional Name: 2-(benzylthio)acetic acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O6S/c1-3-31-22-15-21(27-10-12-30-13-11-27)23(32-4-2)14-20(22)26-24(28)16-33-25(29)18-34-17-19-8-6-5-7-9-19/h5-9,14-15H,3-4,10-13,16-18H2,1-2H3,(H,26,28)