2-[8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazin-4-yl]ethanoic acid Openeye Name: 2-[10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxo-phenothiazin-4-yl]acetic acid CAS Name: 2-[8,9-dimethyl-5-oxo-10-[3-[(phenylmethyl)amino]propyl]-4-phenothiazinyl]acetic acid IUPAC Name: 2-[10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxophenothiazin-4-yl]acetic acid Traditional Name: 2-[10-[3-(benzylamino)propyl]-5-keto-8,9-dimethyl-phenothiazin-4-yl]acetic acid Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(C=CC=C3N2CCCNCC4=CC=CC=C4)CC(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(C=CC=C3N2CCCNCC4=CC=CC=C4)CC(=O)O)C

InChI

InChI=1S/C26H28N2O3S/c1-18-12-13-23-25(19(18)2)28(15-7-14-27-17-20-8-4-3-5-9-20)22-11-6-10-21(16-24(29)30)26(22)32(23)31/h3-6,8-13,27H,7,14-17H2,1-2H3,(H,29,30)