4-(2-methylpropyl)-5-oxidanylidene-thieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: 4-(2-methylpropyl)-5-oxidanylidene-thieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: 4-isobutyl-5-oxo-thieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 4-(2-methylpropyl)-5-oxo-2-thieno[2,3-c]isoquinolinecarboxylate IUPAC Name: 4-(2-methylpropyl)-5-oxothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 4-isobutyl-5-keto-thien[2,3-c]isoquinoline-2-carboxylate Formula: C16H14NO3S- MolecularWeight: 300.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(S2)C(=O)[O-])C3=CC=CC=C3C1=O

Isomeric SMILES

CC(C)CN1C2=C(C=C(S2)C(=O)[O-])C3=CC=CC=C3C1=O

InChI

InChI=1S/C16H15NO3S/c1-9(2)8-17-14(18)11-6-4-3-5-10(11)12-7-13(16(19)20)21-15(12)17/h3-7,9H,8H2,1-2H3,(H,19,20)/p-1