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

Systemtic Name: 4-[[5-(3-chloranyl-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(3-chlorobenzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C21H13ClN2O4S2 MolecularWeight: 456.92192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(O3)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H13ClN2O4S2/c1-26-12-6-7-13-11(8-17(25)27-15(13)9-12)10-29-21-24-23-20(28-21)19-18(22)14-4-2-3-5-16(14)30-19/h2-9H,10H2,1H3