3-[5-[(3,4-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]-7-methoxy-chromen-2-one

Systemtic Name: 3-[5-[(3,4-dimethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]-7-methoxy-chromen-2-one Openeye Name: 3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-chromen-2-one CAS Name: 3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-methoxychromen-2-one Traditional Name: 3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-methoxy-coumarin Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(S3)NC4=CC(=C(C=C4)OC)OC

InChI

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