(phenylmethyl) (2S,3E)-3-cyclohept-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-propanoate

Systemtic Name: (phenylmethyl) (2S,3E)-3-cyclohept-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-propanoate Openeye Name: benzyl (2S,3E)-3-cyclohept-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methyl-propanoate CAS Name: (2S,3E)-3-(1-cyclohept-2-enylidene)-2-(3,3-dimethoxypropylthio)-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3E)-3-cyclohept-2-en-1-ylidene-2-(3,3-dimethoxypropylsulfanyl)-2-methylpropanoate Traditional Name: (2S,3E)-3-cyclohept-2-en-1-ylidene-2-(3,3-dimethoxypropylthio)-2-methyl-propionic acid benzyl ester Formula: C23H32O4S MolecularWeight: 404.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CCCCC=C1)(C(=O)OCC2=CC=CC=C2)SCCC(OC)OC

Isomeric SMILES

C[C@](/C=C/1\CCCCC=C1)(C(=O)OCC2=CC=CC=C2)SCCC(OC)OC

InChI

InChI=1S/C23H32O4S/c1-23(28-16-15-21(25-2)26-3,17-19-11-7-4-5-8-12-19)22(24)27-18-20-13-9-6-10-14-20/h6-7,9-11,13-14,17,21H,4-5,8,12,15-16,18H2,1-3H3/b19-17-/t23-/m0/s1