2-[1-aminocarbonyl-3,7-bis(dimethylamino)phenothiazin-10-yl]ethanoic acid

Systemtic Name: 2-[1-aminocarbonyl-3,7-bis(dimethylamino)phenothiazin-10-yl]ethanoic acid Openeye Name: 2-[1-carbamoyl-3,7-bis(dimethylamino)phenothiazin-10-yl]acetic acid CAS Name: 2-[1-carbamoyl-3,7-bis(dimethylamino)-10-phenothiazinyl]acetic acid IUPAC Name: 2-[1-carbamoyl-3,7-bis(dimethylamino)phenothiazin-10-yl]acetic acid Traditional Name: 2-[1-carbamoyl-3,7-bis(dimethylamino)phenothiazin-10-yl]acetic acid Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3C(=O)N)N(C)C)CC(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3C(=O)N)N(C)C)CC(=O)O

InChI

InChI=1S/C19H22N4O3S/c1-21(2)11-5-6-14-15(8-11)27-16-9-12(22(3)4)7-13(19(20)26)18(16)23(14)10-17(24)25/h5-9H,10H2,1-4H3,(H2,20,26)(H,24,25)