methyl 3-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(1R)-1-benzyl-2-hydroxy-ethyl]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[(1R)-1-benzyl-2-hydroxy-ethyl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC(CC2=CC=CC=C2)CO

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N[C@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C16H18N2O3S2/c1-21-15(20)14-13(7-8-23-14)18-16(22)17-12(10-19)9-11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H2,17,18,22)/t12-/m1/s1