[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(C=C(C=C1)SC)OC

InChI

InChI=1S/C16H23NO4S/c1-5-11(6-2)17-15(18)10-21-16(19)13-8-7-12(22-4)9-14(13)20-3/h7-9,11H,5-6,10H2,1-4H3,(H,17,18)