[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-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-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H22N4O7S/c1-5-32-21(30)15-11(2)17(18(28)23-3)34-19(15)24-14(27)10-33-22(31)16-12-8-6-7-9-13(12)20(29)26(4)25-16/h6-9H,5,10H2,1-4H3,(H,23,28)(H,24,27)