methyl 2,4-dimethyl-5-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4

InChI

InChI=1S/C22H19N3O4S/c1-12-18(22(28)29-3)13(2)23-19(12)16(26)11-25-21(27)15-8-5-4-7-14(15)20(24-25)17-9-6-10-30-17/h4-10,23H,11H2,1-3H3