4-(2-chloranylphenothiazin-10-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-chloranylphenothiazin-10-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chlorophenothiazin-10-yl)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-10-phenothiazinyl)-4-oxobutanoic acid IUPAC Name: 4-(2-chlorophenothiazin-10-yl)-4-oxobutanoic acid Traditional Name: 4-(2-chlorophenothiazin-10-yl)-4-keto-butyric acid Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C16H12ClNO3S/c17-10-5-6-14-12(9-10)18(15(19)7-8-16(20)21)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2,(H,20,21)