methyl 4-[(E)-3-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(1,3-dithiolan-2-yl)-2-methoxy-phenoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C21H20O5S2 MolecularWeight: 416.5105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20O5S2/c1-24-18-13-16(21-27-11-12-28-21)8-9-17(18)26-19(22)10-5-14-3-6-15(7-4-14)20(23)25-2/h3-10,13,21H,11-12H2,1-2H3/b10-5+