3-(2-methylquinolin-4-yl)sulfanyl-2-(phenothiazin-10-ylcarbonylamino)propanoic acid

Systemtic Name: 3-(2-methylquinolin-4-yl)sulfanyl-2-(phenothiazin-10-ylcarbonylamino)propanoic acid Openeye Name: 3-[(2-methyl-4-quinolyl)sulfanyl]-2-(phenothiazine-10-carbonylamino)propanoic acid CAS Name: 3-[(2-methyl-4-quinolinyl)thio]-2-[[oxo(10-phenothiazinyl)methyl]amino]propanoic acid IUPAC Name: 3-(2-methylquinolin-4-yl)sulfanyl-2-(phenothiazine-10-carbonylamino)propanoic acid Traditional Name: 3-[(2-methyl-4-quinolyl)thio]-2-(phenothiazine-10-carbonylamino)propionic acid Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)O)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)SCC(C(=O)O)NC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H21N3O3S2/c1-16-14-24(17-8-2-3-9-18(17)27-16)33-15-19(25(30)31)28-26(32)29-20-10-4-6-12-22(20)34-23-13-7-5-11-21(23)29/h2-14,19H,15H2,1H3,(H,28,32)(H,30,31)