[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C28H28N2O4S/c1-20(31)29-17-6-7-21-12-14-22(15-13-21)25(32)19-34-28(33)16-18-30-23-8-2-4-10-26(23)35-27-11-5-3-9-24(27)30/h2-5,8-15H,6-7,16-19H2,1H3,(H,29,31)