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

Systemtic Name: ethyl 3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzoate CAS Name: 3-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzoate Traditional Name: 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]benzoic acid ethyl ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H21NO3S2/c1-2-24-19(23)16-5-3-6-17(13-16)21-18(22)14-7-9-15(10-8-14)20-25-11-4-12-26-20/h3,5-10,13,20H,2,4,11-12H2,1H3,(H,21,22)