ethyl 3-methyl-5-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H17N3O4S/c1-3-25-18(24)16-10(2)8-15(26-16)19-14(22)9-13-11-6-4-5-7-12(11)17(23)21-20-13/h4-8H,3,9H2,1-2H3,(H,19,22)(H,21,23)