3-[5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]-8-methoxy-chromen-2-one

Systemtic Name: 3-[5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]-8-methoxy-chromen-2-one Openeye Name: 3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-chromen-2-one CAS Name: 3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxychromen-2-one Traditional Name: 3-[5-(2,5-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-8-methoxy-coumarin Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC4=C(C(=CC=C4)OC)OC3=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC4=C(C(=CC=C4)OC)OC3=O

InChI

InChI=1S/C20H17N3O5S/c1-25-12-7-8-15(26-2)14(10-12)21-20-23-22-18(29-20)13-9-11-5-4-6-16(27-3)17(11)28-19(13)24/h4-10H,1-3H3,(H,21,23)