[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C23H19IN2O3S MolecularWeight: 530.37803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C23H19IN2O3S/c24-16-6-5-7-17(14-16)25-22(27)15-29-23(28)12-13-26-18-8-1-3-10-20(18)30-21-11-4-2-9-19(21)26/h1-11,14H,12-13,15H2,(H,25,27)