(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C24H17N3O4S MolecularWeight: 443.47448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)NC(=O)CC#N

InChI

InChI=1S/C24H17N3O4S/c25-14-13-22(28)26-17-11-9-16(10-12-17)24(30)31-15-23(29)27-18-5-1-3-7-20(18)32-21-8-4-2-6-19(21)27/h1-12H,13,15H2,(H,26,28)