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

Systemtic Name: [2-[[4-(diethylamino)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[4-(diethylamino)anilino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[4-(diethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylamino)anilino]-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-[4-(diethylamino)anilino]-2-keto-ethyl] ester Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C27H29N3O3S/c1-3-29(4-2)21-15-13-20(14-16-21)28-26(31)19-33-27(32)17-18-30-22-9-5-7-11-24(22)34-25-12-8-6-10-23(25)30/h5-16H,3-4,17-19H2,1-2H3,(H,28,31)