(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-thiophen-3-ylpropanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-thiophen-3-ylpropanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H17NO3S2 MolecularWeight: 395.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCC4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCC4=CSC=C4

InChI

InChI=1S/C21H17NO3S2/c23-20(13-25-21(24)10-9-15-11-12-26-14-15)22-16-5-1-3-7-18(16)27-19-8-4-2-6-17(19)22/h1-8,11-12,14H,9-10,13H2