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

Systemtic Name: ethyl 6-methyl-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H25N3O4S/c1-4-30-23(29)20-16-10-9-13(2)11-18(16)31-21(20)24-19(27)12-17-14-7-5-6-8-15(14)22(28)26(3)25-17/h5-8,13H,4,9-12H2,1-3H3,(H,24,27)