6,7-dimethoxy-4-[2-(3-methylimidazol-4-yl)ethynyl]-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 6,7-dimethoxy-4-[2-(3-methylimidazol-4-yl)ethynyl]-3-thiophen-3-yl-isochromen-1-one Openeye Name: 6,7-dimethoxy-4-[2-(3-methylimidazol-4-yl)ethynyl]-3-(3-thienyl)isochromen-1-one CAS Name: 6,7-dimethoxy-4-[2-(3-methyl-4-imidazolyl)ethynyl]-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-4-[2-(3-methylimidazol-4-yl)ethynyl]-3-thiophen-3-ylisochromen-1-one Traditional Name: 6,7-dimethoxy-4-[2-(3-methylimidazol-4-yl)ethynyl]-3-(3-thienyl)isocoumarin Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C#CC2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

Isomeric SMILES

CN1C=NC=C1C#CC2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

InChI

InChI=1S/C21H16N2O4S/c1-23-12-22-10-14(23)4-5-15-16-8-18(25-2)19(26-3)9-17(16)21(24)27-20(15)13-6-7-28-11-13/h6-12H,1-3H3