2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 3-allyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-5,6-dimethyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 3-allyl-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Formula: C22H24N3O2S2+ MolecularWeight: 426.57486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=[N+](C(=O)C12)CC=C)SCC(=O)N3CCCC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC2=NC(=[N+](C(=O)C12)CC=C)SCC(=O)N3CCCC4=CC=CC=C43)C

InChI

InChI=1S/C22H24N3O2S2/c1-4-11-25-21(27)19-14(2)15(3)29-20(19)23-22(25)28-13-18(26)24-12-7-9-16-8-5-6-10-17(16)24/h4-6,8,10,19H,1,7,9,11-13H2,2-3H3/q+1