[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2CCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2CCCCC2)C

InChI

InChI=1S/C18H25NO3S/c1-13-8-9-16(10-14(13)2)23-12-18(21)22-11-17(20)19-15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,19,20)