2-[4-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thiophenyl)-4-isoxazolyl]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[3-(1,3-benzodioxol-5-yl)-5-thiophen-3-yl-1,2-oxazol-4-yl]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[3-(1,3-benzodioxol-5-yl)-5-(3-thienyl)isoxazol-4-yl]phenyl]cinchoninic acid Formula: C30H18N2O5S MolecularWeight: 518.53932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NOC(=C3C4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O)C7=CSC=C7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NOC(=C3C4=CC=C(C=C4)C5=NC6=CC=CC=C6C(=C5)C(=O)O)C7=CSC=C7

InChI

InChI=1S/C30H18N2O5S/c33-30(34)22-14-24(31-23-4-2-1-3-21(22)23)17-5-7-18(8-6-17)27-28(32-37-29(27)20-11-12-38-15-20)19-9-10-25-26(13-19)36-16-35-25/h1-15H,16H2,(H,33,34)