[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C23H26N2O3S/c26-22(24-14-7-1-2-8-15-24)17-28-23(27)13-16-25-18-9-3-5-11-20(18)29-21-12-6-4-10-19(21)25/h3-6,9-12H,1-2,7-8,13-17H2