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

Systemtic Name: ethyl 5-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)OCC

InChI

InChI=1S/C23H21N3O4S/c1-3-11-26-22(28)17-8-6-5-7-16(17)20(25-26)21(27)24-15-9-10-18-14(12-15)13-19(31-18)23(29)30-4-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,27)