(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H20N2O4S2 MolecularWeight: 452.5459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S2/c26-21(14-29-22(27)10-5-12-24-23(28)16-11-13-30-15-16)25-17-6-1-3-8-19(17)31-20-9-4-2-7-18(20)25/h1-4,6-9,11,13,15H,5,10,12,14H2,(H,24,28)