4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 7,8-dimethyl-4-[[[5-(o-phenetidino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C22H21N3O3S2/c1-4-27-18-8-6-5-7-17(18)23-21-24-25-22(30-21)29-12-15-11-19(26)28-20-14(3)13(2)9-10-16(15)20/h5-11H,4,12H2,1-3H3,(H,23,24)