ethyl 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O4S/c1-3-28-21(27)16-14-10-6-7-11-15(14)29-19(16)22-18(25)17-12-8-4-5-9-13(12)20(26)24(2)23-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,22,25)