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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2CCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2CCCC2)C

InChI

InChI=1S/C17H23NO3S/c1-12-7-8-15(9-13(12)2)22-11-17(20)21-10-16(19)18-14-5-3-4-6-14/h7-9,14H,3-6,10-11H2,1-2H3,(H,18,19)