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

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-propan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (1-methyl-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 [1-oxo-1-(10-phenothiazinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylpropan-2-yl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-keto-1-methyl-2-phenothiazin-10-yl-ethyl) ester Formula: C24H21NO3S2 MolecularWeight: 435.55844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO3S2/c1-15(28-24(27)22-14-16-8-2-5-11-19(16)29-22)23(26)25-17-9-3-6-12-20(17)30-21-13-7-4-10-18(21)25/h3-4,6-7,9-10,12-15H,2,5,8,11H2,1H3