S-[9-(2-methylindol-2-yl)-2,9-bis(oxidanylidene)nonyl] ethanethioate

Systemtic Name: S-[9-(2-methylindol-2-yl)-2,9-bis(oxidanylidene)nonyl] ethanethioate Openeye Name: S-[9-(2-methylindol-2-yl)-2,9-dioxo-nonyl] ethanethioate CAS Name: ethanethioic acid S-[9-(2-methyl-2-indolyl)-2,9-dioxononyl] ester IUPAC Name: S-[9-(2-methylindol-2-yl)-2,9-dioxononyl] ethanethioate Traditional Name: ethanethioic acid S-[2,9-diketo-9-(2-methylindol-2-yl)nonyl] ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)CCCCCCC(=O)C1(C=C2C=CC=CC2=N1)C

Isomeric SMILES

CC(=O)SCC(=O)CCCCCCC(=O)C1(C=C2C=CC=CC2=N1)C

InChI

InChI=1S/C20H25NO3S/c1-15(22)25-14-17(23)10-5-3-4-6-12-19(24)20(2)13-16-9-7-8-11-18(16)21-20/h7-9,11,13H,3-6,10,12,14H2,1-2H3