4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)COC4=CC=CC=C43)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)COC4=CC=CC=C43)C5=CC=CS5)OC

InChI

InChI=1S/C25H24N2O5S/c1-30-20-12-16-9-10-26(25(22-8-5-11-33-22)17(16)13-21(20)31-2)23(28)14-27-18-6-3-4-7-19(18)32-15-24(27)29/h3-8,11-13,25H,9-10,14-15H2,1-2H3