[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O4S/c1-16(2,3)18-15(21)17-13(19)11-22-14(20)9-10-23-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H2,17,18,19,21)/b10-9+