[1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylamino)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

InChI=1S/C16H18N2O3S2/c1-3-17-15(19)11(2)21-16(20)12-4-6-14(7-5-12)23-9-13-8-22-10-18-13/h4-8,10-11H,3,9H2,1-2H3,(H,17,19)