10-[[[2,3-bis(chloranyl)phenyl]amino]methyl]-7-methoxy-phenothiazine-1-carboxylic acid

Systemtic Name: 10-[[[2,3-bis(chloranyl)phenyl]amino]methyl]-7-methoxy-phenothiazine-1-carboxylic acid Openeye Name: 10-[(2,3-dichloroanilino)methyl]-7-methoxy-phenothiazine-1-carboxylic acid CAS Name: 10-[(2,3-dichloroanilino)methyl]-7-methoxy-1-phenothiazinecarboxylic acid IUPAC Name: 10-[(2,3-dichloroanilino)methyl]-7-methoxyphenothiazine-1-carboxylic acid Traditional Name: 10-[(2,3-dichloroanilino)methyl]-7-methoxy-phenothiazine-1-carboxylic acid Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C(C=CC=C3S2)C(=O)O)CNC4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C(C=CC=C3S2)C(=O)O)CNC4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3S/c1-28-12-8-9-16-18(10-12)29-17-7-2-4-13(21(26)27)20(17)25(16)11-24-15-6-3-5-14(22)19(15)23/h2-10,24H,11H2,1H3,(H,26,27)