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

Systemtic Name: methyl 3-[[1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoylamino]benzoate Openeye Name: methyl 3-[[1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]carbamoylamino]benzoate CAS Name: 3-[[[[1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl)carbamoylamino]benzoate Traditional Name: 3-[[1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]carbamoylamino]benzoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O5S/c1-3-28-20(25)18(14-29-13-15-8-5-4-6-9-15)23-21(26)22-17-11-7-10-16(12-17)19(24)27-2/h4-12,18H,3,13-14H2,1-2H3,(H2,22,23,26)