[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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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=CN4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H18N2O3S/c24-18(15-6-5-12-22-15)14-26-21(25)11-13-23-16-7-1-3-9-19(16)27-20-10-4-2-8-17(20)23/h1-10,12,22H,11,13-14H2