[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53)C

InChI

InChI=1S/C31H28N2O3S/c1-21-18-22(2)20-24(19-21)32-31(35)30(23-10-4-3-5-11-23)36-29(34)16-17-33-25-12-6-8-14-27(25)37-28-15-9-7-13-26(28)33/h3-15,18-20,30H,16-17H2,1-2H3,(H,32,35)