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

Systemtic Name: ethyl (6S)-6-methyl-2-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=NNC(=O)CC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)C3=NNC(=O)CC3

InChI

InChI=1S/C17H21N3O4S/c1-3-24-17(23)14-10-5-4-9(2)8-12(10)25-16(14)18-15(22)11-6-7-13(21)20-19-11/h9H,3-8H2,1-2H3,(H,18,22)(H,20,21)/t9-/m0/s1