7-methoxy-10-[[(2-methylphenyl)amino]methyl]phenothiazine-1-carboxylic acid

Systemtic Name: 7-methoxy-10-[[(2-methylphenyl)amino]methyl]phenothiazine-1-carboxylic acid Openeye Name: 7-methoxy-10-[(2-methylanilino)methyl]phenothiazine-1-carboxylic acid CAS Name: 7-methoxy-10-[(2-methylanilino)methyl]-1-phenothiazinecarboxylic acid IUPAC Name: 7-methoxy-10-[(2-methylanilino)methyl]phenothiazine-1-carboxylic acid Traditional Name: 7-methoxy-10-(o-toluidinomethyl)phenothiazine-1-carboxylic acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCN2C3=C(C=C(C=C3)OC)SC4=CC=CC(=C42)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NCN2C3=C(C=C(C=C3)OC)SC4=CC=CC(=C42)C(=O)O

InChI

InChI=1S/C22H20N2O3S/c1-14-6-3-4-8-17(14)23-13-24-18-11-10-15(27-2)12-20(18)28-19-9-5-7-16(21(19)24)22(25)26/h3-12,23H,13H2,1-2H3,(H,25,26)