methyl 3-oxidanyl-2-[(4-phenoxyphenyl)carbamothioylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[(4-phenoxyphenyl)carbamothioylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[(4-phenoxyphenyl)carbamothioylamino]propanoate CAS Name: 3-hydroxy-2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-phenoxyphenyl)carbamothioylamino]propanoate Traditional Name: 3-hydroxy-2-[(4-phenoxyphenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CO)NC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O4S/c1-22-16(21)15(11-20)19-17(24)18-12-7-9-14(10-8-12)23-13-5-3-2-4-6-13/h2-10,15,20H,11H2,1H3,(H2,18,19,24)