[2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3,4-dimethoxyphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[[3-carbethoxy-4-(3,4-dimethoxyphenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C27H25N3O8S MolecularWeight: 551.5677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C27H25N3O8S/c1-5-37-26(33)22-18(15-10-11-19(35-3)20(12-15)36-4)14-39-24(22)28-21(31)13-38-27(34)23-16-8-6-7-9-17(16)25(32)30(2)29-23/h6-12,14H,5,13H2,1-4H3,(H,28,31)