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

Systemtic Name: 4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]-2-methyl-1,4-benzoxazin-3-one CAS Name: 4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]-2-methyl-1,4-benzoxazin-3-one Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

InChI

InChI=1S/C27H28N2O5S/c1-17-27(31)28(20-7-4-5-8-21(20)34-17)13-11-25(30)29-12-10-18-15-22(32-2)23(33-3)16-19(18)26(29)24-9-6-14-35-24/h4-9,14-17,26H,10-13H2,1-3H3