[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C21H16BrNO3S2 MolecularWeight: 474.39064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H16BrNO3S2/c22-20-10-9-19(28-20)16(24)13-26-21(25)11-12-23-14-5-1-3-7-17(14)27-18-8-4-2-6-15(18)23/h1-10H,11-13H2