methyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3SCCS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C20H21NO5S2/c1-24-16-10-14(19(23)26-3)15(11-17(16)25-2)21-18(22)12-4-6-13(7-5-12)20-27-8-9-28-20/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)