[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C24H20Br2N2O3S MolecularWeight: 576.3002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)Br

InChI

InChI=1S/C24H20Br2N2O3S/c1-15-12-16(25)24(17(26)13-15)27-22(29)14-31-23(30)10-11-28-18-6-2-4-8-20(18)32-21-9-5-3-7-19(21)28/h2-9,12-13H,10-11,14H2,1H3,(H,27,29)