[1-(1-azanyl-2-methyl-cyclopropyl)-2-methyl-cyclopropyl] 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate

Systemtic Name: [1-(1-azanyl-2-methyl-cyclopropyl)-2-methyl-cyclopropyl] 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate Openeye Name: [1-(1-amino-2-methyl-cyclopropyl)-2-methyl-cyclopropyl] 4-(benzenecarbonothioylsulfanyl)-4-cyano-pentanoate CAS Name: 4-(benzenecarbonothioylthio)-4-cyanopentanoic acid [1-(1-amino-2-methylcyclopropyl)-2-methylcyclopropyl] ester IUPAC Name: [1-(1-amino-2-methylcyclopropyl)-2-methylcyclopropyl] 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoate Traditional Name: 4-(benzenecarbonothioylthio)-4-cyano-valeric acid [1-(1-amino-2-methyl-cyclopropyl)-2-methyl-cyclopropyl] ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(C2(CC2C)OC(=O)CCC(C)(C#N)SC(=S)C3=CC=CC=C3)N

Isomeric SMILES

CC1CC1(C2(CC2C)OC(=O)CCC(C)(C#N)SC(=S)C3=CC=CC=C3)N

InChI

InChI=1S/C21H26N2O2S2/c1-14-11-20(14,23)21(12-15(21)2)25-17(24)9-10-19(3,13-22)27-18(26)16-7-5-4-6-8-16/h4-8,14-15H,9-12,23H2,1-3H3