[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 3-phenothiazin-10-ylpropanoate Openeye Name: [1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propylphenyl)propan-2-yl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C27H27NO3S MolecularWeight: 445.57318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C27H27NO3S/c1-3-8-20-13-15-21(16-14-20)27(30)19(2)31-26(29)17-18-28-22-9-4-6-11-24(22)32-25-12-7-5-10-23(25)28/h4-7,9-16,19H,3,8,17-18H2,1-2H3