methyl 2-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(2-methoxy-5-phenyl-phenyl)carbamothioylamino]propanoate CAS Name: 3-hydroxy-2-[[(2-methoxy-5-phenylanilino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(2-methoxy-5-phenylphenyl)carbamothioylamino]propanoate Traditional Name: 3-hydroxy-2-[(2-methoxy-5-phenyl-phenyl)thiocarbamoylamino]propionic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NC(CO)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NC(CO)C(=O)OC

InChI

InChI=1S/C18H20N2O4S/c1-23-16-9-8-13(12-6-4-3-5-7-12)10-14(16)19-18(25)20-15(11-21)17(22)24-2/h3-10,15,21H,11H2,1-2H3,(H2,19,20,25)