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

Systemtic Name: S-[1-[1,4-dimethoxy-5,8-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] 2-methylpropanethioate Openeye Name: S-[1-(1,4-dimethoxy-5,8-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic 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] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[1-(5,8-diketo-1,4-dimethoxy-2-naphthyl)-4-methyl-pent-3-enyl] ester Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O5S/c1-12(2)7-10-18(28-22(25)13(3)4)14-11-17(26-5)19-15(23)8-9-16(24)20(19)21(14)27-6/h7-9,11,13,18H,10H2,1-6H3