[2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H17Cl2N3O3S MolecularWeight: 474.35968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=C(C=C(C=N4)Cl)Cl

InChI

InChI=1S/C22H17Cl2N3O3S/c23-14-11-15(24)22(25-12-14)26-20(28)13-30-21(29)9-10-27-16-5-1-3-7-18(16)31-19-8-4-2-6-17(19)27/h1-8,11-12H,9-10,13H2,(H,25,26,28)