4-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-hydroxy-coumarin Formula: C20H11ClN2O4S2 MolecularWeight: 442.89534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C3=NN=C(O3)SCC4=CC(=O)OC5=C4C=CC(=C5)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C3=NN=C(O3)SCC4=CC(=O)OC5=C4C=CC(=C5)O)Cl

InChI

InChI=1S/C20H11ClN2O4S2/c21-17-13-3-1-2-4-15(13)29-18(17)19-22-23-20(27-19)28-9-10-7-16(25)26-14-8-11(24)5-6-12(10)14/h1-8,24H,9H2