6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-3-thiophen-3-yl-isochromen-1-one

Systemtic Name: 6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-3-thiophen-3-yl-isochromen-1-one Openeye Name: 6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-3-(3-thienyl)isochromen-1-one CAS Name: 6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-3-(3-thiophenyl)-2-benzopyran-1-one IUPAC Name: 6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-3-thiophen-3-ylisochromen-1-one Traditional Name: 6,7-dimethoxy-4-[4-(methoxymethyl)phenyl]-3-(3-thienyl)isocoumarin Formula: C23H20O5S MolecularWeight: 408.4669

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

Isomeric SMILES

COCC1=CC=C(C=C1)C2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CSC=C4

InChI

InChI=1S/C23H20O5S/c1-25-12-14-4-6-15(7-5-14)21-17-10-19(26-2)20(27-3)11-18(17)23(24)28-22(21)16-8-9-29-13-16/h4-11,13H,12H2,1-3H3