4-oxidanylidene-4-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)butanoic acid Openeye Name: 4-oxo-4-[3-(2-thienyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]butanoic acid CAS Name: 4-oxo-4-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)butanoic acid IUPAC Name: 4-oxo-4-(3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl)butanoic acid Traditional Name: 4-keto-4-[3-(2-thienyl)-3,3a,4,5-tetrahydrobenz[g]indazol-2-yl]butyric acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CS4)C(=O)CCC(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CS4)C(=O)CCC(=O)O

InChI

InChI=1S/C19H18N2O3S/c22-16(9-10-17(23)24)21-19(15-6-3-11-25-15)14-8-7-12-4-1-2-5-13(12)18(14)20-21/h1-6,11,14,19H,7-10H2,(H,23,24)