4-(1-sulfanylidene-9-thiophen-2-yl-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-b]quinolin-2-yl)benzoic acid

Systemtic Name: 4-(1-sulfanylidene-9-thiophen-2-yl-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-b]quinolin-2-yl)benzoic acid Openeye Name: 4-[9-(2-thienyl)-1-thioxo-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-b]quinolin-2-yl]benzoic acid CAS Name: 4-(1-sulfanylidene-9-thiophen-2-yl-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-b]quinolin-2-yl)benzoic acid IUPAC Name: 4-(1-sulfanylidene-9-thiophen-2-yl-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-b]quinolin-2-yl)benzoic acid Traditional Name: 4-[9-(2-thienyl)-1-thioxo-5,6,7,8-tetrahydro-3H-pyrrolo[3,4-b]quinolin-2-yl]benzoic acid Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3C(=N2)CN(C3=S)C4=CC=C(C=C4)C(=O)O)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(C1)C(=C3C(=N2)CN(C3=S)C4=CC=C(C=C4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C22H18N2O2S2/c25-22(26)13-7-9-14(10-8-13)24-12-17-20(21(24)27)19(18-6-3-11-28-18)15-4-1-2-5-16(15)23-17/h3,6-11H,1-2,4-5,12H2,(H,25,26)