3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-chromen-2-one

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-chromen-2-one Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-chromen-2-one CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxychromen-2-one Traditional Name: 8-ethoxy-3-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]coumarin Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NN=C(S3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N3O5S/c1-2-26-16-5-3-4-13-9-14(20(25)29-18(13)16)19-23-24-21(30-19)22-10-12-6-7-15-17(8-12)28-11-27-15/h3-9H,2,10-11H2,1H3,(H,22,24)