ethyl 5-ethyl-2-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C(=O)OCC

InChI

InChI=1S/C21H23N3O4S/c1-5-13-11-16(21(27)28-6-2)19(29-13)22-18(25)17-14-9-7-8-10-15(14)20(26)24(23-17)12(3)4/h7-12H,5-6H2,1-4H3,(H,22,25)