4,5-dimethoxy-2-(phenothiazin-10-ylcarbonylamino)benzoic acid

Systemtic Name: 4,5-dimethoxy-2-(phenothiazin-10-ylcarbonylamino)benzoic acid Openeye Name: 4,5-dimethoxy-2-(phenothiazine-10-carbonylamino)benzoic acid CAS Name: 4,5-dimethoxy-2-[[oxo(10-phenothiazinyl)methyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-(phenothiazine-10-carbonylamino)benzoic acid Traditional Name: 4,5-dimethoxy-2-(phenothiazine-10-carbonylamino)benzoic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC

InChI

InChI=1S/C22H18N2O5S/c1-28-17-11-13(21(25)26)14(12-18(17)29-2)23-22(27)24-15-7-3-5-9-19(15)30-20-10-6-4-8-16(20)24/h3-12H,1-2H3,(H,23,27)(H,25,26)