methyl (2S)-3-oxidanyl-2-[(3,4,5-trimethoxyphenyl)carbothioylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[(3,4,5-trimethoxyphenyl)carbothioylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[(3,4,5-trimethoxybenzenecarbothioyl)amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[sulfanylidene-(3,4,5-trimethoxyphenyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(3,4,5-trimethoxybenzenecarbothioyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[(3,4,5-trimethoxythiobenzoyl)amino]propionic acid methyl ester Formula: C14H19NO6S MolecularWeight: 329.36876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=S)NC(CO)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=S)N[C@@H](CO)C(=O)OC

InChI

InChI=1S/C14H19NO6S/c1-18-10-5-8(6-11(19-2)12(10)20-3)13(22)15-9(7-16)14(17)21-4/h5-6,9,16H,7H2,1-4H3,(H,15,22)/t9-/m0/s1