3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-methoxy-chromen-2-one

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-methoxy-chromen-2-one Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-methoxy-chromen-2-one CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-6-methoxychromen-2-one Traditional Name: 6-methoxy-3-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H15N3O5S/c1-25-13-3-5-15-12(7-13)8-14(19(24)28-15)18-22-23-20(29-18)21-9-11-2-4-16-17(6-11)27-10-26-16/h2-8H,9-10H2,1H3,(H,21,23)