methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethoxy]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[2-oxo-2-[2-(phenylthio)ethylamino]ethoxy]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[2-keto-2-[2-(phenylthio)ethylamino]ethoxy]prop-1-enyl]benzoic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C21H21NO5S/c1-26-21(25)17-10-7-16(8-11-17)9-12-20(24)27-15-19(23)22-13-14-28-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,22,23)/b12-9+