(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C23H19NO3S2 MolecularWeight: 421.53186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C23H19NO3S2/c25-22(14-27-23(26)21-13-15-7-1-4-10-18(15)28-21)24-16-8-2-5-11-19(16)29-20-12-6-3-9-17(20)24/h2-3,5-6,8-9,11-13H,1,4,7,10,14H2