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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-chloro-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-chloro-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-3-(2-thenoylamino)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H17ClN2O4S2 MolecularWeight: 521.00718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CS5

InChI

InChI=1S/C26H17ClN2O4S2/c27-17-12-11-16(14-18(17)28-25(31)23-10-5-13-34-23)26(32)33-15-24(30)29-19-6-1-3-8-21(19)35-22-9-4-2-7-20(22)29/h1-14H,15H2,(H,28,31)