S-[1-[1,4-dimethoxy-5,8-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] propanethioate

Systemtic Name: S-[1-[1,4-dimethoxy-5,8-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] propanethioate Openeye Name: S-[1-(1,4-dimethoxy-5,8-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] propanethioate CAS Name: propanethioic acid S-[1-(1,4-dimethoxy-5,8-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester IUPAC Name: S-[1-(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] propanethioate Traditional Name: propanethioic acid S-[1-(5,8-diketo-1,4-dimethoxy-2-naphthyl)-4-methyl-pent-3-enyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC(CC=C(C)C)C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)OC

Isomeric SMILES

CCC(=O)SC(CC=C(C)C)C1=CC(=C2C(=O)C=CC(=O)C2=C1OC)OC

InChI

InChI=1S/C21H24O5S/c1-6-18(24)27-17(10-7-12(2)3)13-11-16(25-4)19-14(22)8-9-15(23)20(19)21(13)26-5/h7-9,11,17H,6,10H2,1-5H3