5-[[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[4-(1,3-dithiolan-2-yl)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)O

InChI

InChI=1S/C19H19NO4S2/c1-24-16-7-2-12(10-15(16)18(22)23)11-20-17(21)13-3-5-14(6-4-13)19-25-8-9-26-19/h2-7,10,19H,8-9,11H2,1H3,(H,20,21)(H,22,23)