(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H16ClNO4S2 MolecularWeight: 457.94974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H16ClNO4S2/c23-20-11-10-19(30-20)16(25)9-12-22(27)28-13-21(26)24-14-5-1-3-7-17(14)29-18-8-4-2-6-15(18)24/h1-8,10-11H,9,12-13H2