ethyl 3-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 3-[(1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoate Openeye Name: ethyl 3-[(1-methoxycarbonyl-3-methylsulfanyl-propyl)carbamoylamino]benzoate CAS Name: 3-[[[[1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]benzoate Traditional Name: 3-[[1-carbomethoxy-3-(methylthio)propyl]carbamoylamino]benzoic acid ethyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C16H22N2O5S/c1-4-23-14(19)11-6-5-7-12(10-11)17-16(21)18-13(8-9-24-3)15(20)22-2/h5-7,10,13H,4,8-9H2,1-3H3,(H2,17,18,21)