(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-[(2-chlorophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-[(2-chlorobenzoyl)amino]-3-phenyl-propanoate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate Traditional Name: 3-[(2-chlorobenzoyl)amino]-3-phenyl-propionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C30H23ClN2O4S MolecularWeight: 543.03262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C30H23ClN2O4S/c31-22-13-5-4-12-21(22)30(36)32-23(20-10-2-1-3-11-20)18-29(35)37-19-28(34)33-24-14-6-8-16-26(24)38-27-17-9-7-15-25(27)33/h1-17,23H,18-19H2,(H,32,36)