6-chloranyl-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: 6-chloranyl-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: 6-chloro-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: 6-chloro-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: 6-chloro-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: 6-chloro-4-[2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl)C5=CC=CS5)OC

InChI

InChI=1S/C25H23ClN2O5S/c1-31-20-10-15-7-8-27(25(22-4-3-9-34-22)17(15)12-21(20)32-2)23(29)13-28-18-11-16(26)5-6-19(18)33-14-24(28)30/h3-6,9-12,25H,7-8,13-14H2,1-2H3