2-methylpropyl 2-ethoxycarbothioylsulfanyl-2-methyl-3-phenyl-propanoate

Systemtic Name: 2-methylpropyl 2-ethoxycarbothioylsulfanyl-2-methyl-3-phenyl-propanoate Openeye Name: isobutyl 2-ethoxycarbothioylsulfanyl-2-methyl-3-phenyl-propanoate CAS Name: 2-[[ethoxy(sulfanylidene)methyl]thio]-2-methyl-3-phenylpropanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-ethoxycarbothioylsulfanyl-2-methyl-3-phenylpropanoate Traditional Name: 2-(ethoxycarbothioylthio)-2-methyl-3-phenyl-propionic acid isobutyl ester Formula: C17H24O3S2 MolecularWeight: 340.50066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C)(CC1=CC=CC=C1)C(=O)OCC(C)C

Isomeric SMILES

CCOC(=S)SC(C)(CC1=CC=CC=C1)C(=O)OCC(C)C

InChI

InChI=1S/C17H24O3S2/c1-5-19-16(21)22-17(4,15(18)20-12-13(2)3)11-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3