3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]chromen-2-one

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]chromen-2-one Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]chromen-2-one CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-1-benzopyran-2-one IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]chromen-2-one Traditional Name: 3-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C19H13N3O4S/c23-18-13(8-12-3-1-2-4-14(12)26-18)17-21-22-19(27-17)20-9-11-5-6-15-16(7-11)25-10-24-15/h1-8H,9-10H2,(H,20,22)