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

Systemtic Name: methyl 4-chloranyl-3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzoate Traditional Name: 4-chloro-3-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzoic acid methyl ester Formula: C19H18ClNO3S2 MolecularWeight: 407.93412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C19H18ClNO3S2/c1-24-18(23)14-7-8-15(20)16(11-14)21-17(22)12-3-5-13(6-4-12)19-25-9-2-10-26-19/h3-8,11,19H,2,9-10H2,1H3,(H,21,22)