(E)-3-(1,3-benzoxazol-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C=CC3=NC4=CC=CC=C4O3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)/C=C/C3=NC4=CC=CC=C4O3)C5=CC=CS5)OC

InChI

InChI=1S/C25H22N2O4S/c1-29-20-14-16-11-12-27(25(22-8-5-13-32-22)17(16)15-21(20)30-2)24(28)10-9-23-26-18-6-3-4-7-19(18)31-23/h3-10,13-15,25H,11-12H2,1-2H3/b10-9+