[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CSC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CSC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H23NO4S/c1-12(2)8-9-17-15(18)10-21-16(19)11-22-14-6-4-13(20-3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,17,18)