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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

Isomeric SMILES

CCCC(=O)SC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)OC)OC

InChI

InChI=1S/C22H26O5S/c1-6-7-19(24)28-18(11-8-13(2)3)14-12-15(23)20-16(26-4)9-10-17(27-5)21(20)22(14)25/h8-10,12,18H,6-7,11H2,1-5H3