6,7-dimethoxy-4-(5-oxidanylpent-1-ynyl)-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 6,7-dimethoxy-4-(5-oxidanylpent-1-ynyl)-3-thiophen-3-yl-isochromen-1-one Openeye Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(3-thienyl)isochromen-1-one CAS Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-thiophen-3-ylisochromen-1-one Traditional Name: 4-(5-hydroxypent-1-ynyl)-6,7-dimethoxy-3-(3-thienyl)isocoumarin Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CCCCO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(OC2=O)C3=CSC=C3)C#CCCCO)OC

InChI

InChI=1S/C20H18O5S/c1-23-17-10-15-14(6-4-3-5-8-21)19(13-7-9-26-12-13)25-20(22)16(15)11-18(17)24-2/h7,9-12,21H,3,5,8H2,1-2H3