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

Systemtic Name: ethyl 5-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H17N3O4S/c1-3-28-21(27)17-11-12-10-13(8-9-16(12)29-17)22-19(25)18-14-6-4-5-7-15(14)20(26)24(2)23-18/h4-11H,3H2,1-2H3,(H,22,25)