(4Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methylthiophen-2-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methylthiophen-2-yl)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-2-thienyl)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methyl-2-thiophenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(5-methylthiophen-2-yl)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-4-[(5-methyl-2-thienyl)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C23H17NO4S MolecularWeight: 403.45038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(S1)/C=C\2/C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H17NO4S/c1-14-6-8-16(29-14)11-19-17-4-2-3-5-18(17)22(25)24(23(19)26)12-15-7-9-20-21(10-15)28-13-27-20/h2-11H,12-13H2,1H3/b19-11-