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

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C25H23NO3S2 MolecularWeight: 449.58502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC5=C(S4)CCCC5

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC5=C(S4)CCCC5

InChI

InChI=1S/C25H23NO3S2/c1-2-19(29-25(28)23-15-16-9-3-6-12-20(16)30-23)24(27)26-17-10-4-7-13-21(17)31-22-14-8-5-11-18(22)26/h4-5,7-8,10-11,13-15,19H,2-3,6,9,12H2,1H3