4-(1,4-benzodithiin-6-ylcarbonylamino)benzoic acid

Systemtic Name: 4-(1,4-benzodithiin-6-ylcarbonylamino)benzoic acid Openeye Name: 4-(1,4-benzodithiine-6-carbonylamino)benzoic acid CAS Name: 4-[[1,4-benzodithiin-6-yl(oxo)methyl]amino]benzoic acid IUPAC Name: 4-(1,4-benzodithiine-6-carbonylamino)benzoic acid Traditional Name: 4-(1,4-benzodithiin-6-carbonylamino)benzoic acid Formula: C16H11NO3S2 MolecularWeight: 329.39344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC3=C(C=C2)SC=CS3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC3=C(C=C2)SC=CS3

InChI

InChI=1S/C16H11NO3S2/c18-15(17-12-4-1-10(2-5-12)16(19)20)11-3-6-13-14(9-11)22-8-7-21-13/h1-9H,(H,17,18)(H,19,20)