ethyl 4-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]carbamoylamino]benzoate CAS Name: 4-[[[[1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl)carbamoylamino]benzoate Traditional Name: 4-[[1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]carbamoylamino]benzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O5S/c1-3-28-20(25)17-10-12-18(13-11-17)23-22(27)24-19(21(26)29-4-2)15-30-14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3,(H2,23,24,27)