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

Systemtic Name: methyl 2-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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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)C3SCCCS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3SCCCS3)OC

InChI

InChI=1S/C21H23NO5S2/c1-25-17-11-15(20(24)27-3)16(12-18(17)26-2)22-19(23)13-5-7-14(8-6-13)21-28-9-4-10-29-21/h5-8,11-12,21H,4,9-10H2,1-3H3,(H,22,23)