dimethyl 2-[2-(3-phenothiazin-10-ylpropanoyloxy)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-phenothiazin-10-ylpropanoyloxy)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[1-oxo-3-(10-phenothiazinyl)propoxy]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H24N2O7S MolecularWeight: 520.55366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O7S/c1-34-26(32)17-11-12-18(27(33)35-2)19(15-17)28-24(30)16-36-25(31)13-14-29-20-7-3-5-9-22(20)37-23-10-6-4-8-21(23)29/h3-12,15H,13-14,16H2,1-2H3,(H,28,30)