2-hydroxyethyl 7-[2-[4-(2-methyl-3-oxidanyl-octan-2-yl)phenyl]-2-propanethioyl-hydrazinyl]heptanoate

Systemtic Name: 2-hydroxyethyl 7-[2-[4-(2-methyl-3-oxidanyl-octan-2-yl)phenyl]-2-propanethioyl-hydrazinyl]heptanoate Openeye Name: 2-hydroxyethyl 7-[2-[4-(2-hydroxy-1,1-dimethyl-heptyl)phenyl]-2-propanethioyl-hydrazino]heptanoate CAS Name: 7-[2-[4-(3-hydroxy-2-methyloctan-2-yl)phenyl]-2-(1-sulfanylidenepropyl)hydrazinyl]heptanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 7-[2-[4-(3-hydroxy-2-methyloctan-2-yl)phenyl]-2-propanethioylhydrazinyl]heptanoate Traditional Name: 7-[N'-[4-(2-hydroxy-1,1-dimethyl-heptyl)phenyl]-N'-propanethioyl-hydrazino]enanthic acid 2-hydroxyethyl ester Formula: C27H46N2O4S MolecularWeight: 494.73014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)(C)C1=CC=C(C=C1)N(C(=S)CC)NCCCCCCC(=O)OCCO)O

Isomeric SMILES

CCCCCC(C(C)(C)C1=CC=C(C=C1)N(C(=S)CC)NCCCCCCC(=O)OCCO)O

InChI

InChI=1S/C27H46N2O4S/c1-5-7-10-13-24(31)27(3,4)22-15-17-23(18-16-22)29(25(34)6-2)28-19-12-9-8-11-14-26(32)33-21-20-30/h15-18,24,28,30-31H,5-14,19-21H2,1-4H3