methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[2-(3-phenothiazin-10-ylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[2-(3-phenothiazin-10-ylpropanoyloxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[1-oxo-2-[1-oxo-3-(10-phenothiazinyl)propoxy]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-(3-phenothiazin-10-ylpropanoyloxy)acetyl]amino]-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C32H28N2O7S2 MolecularWeight: 616.70392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)OC)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H28N2O7S2/c1-19-21(15-20-11-12-24-25(16-20)41-18-40-24)30(32(37)38-2)31(42-19)33-28(35)17-39-29(36)13-14-34-22-7-3-5-9-26(22)43-27-10-6-4-8-23(27)34/h3-12,16H,13-15,17-18H2,1-2H3,(H,33,35)