(phenylmethyl) 5-[(3S)-3-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)butyl]thiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(3S)-3-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)butyl]thiophene-2-carboxylate Openeye Name: benzyl 5-[(3S)-3-(benzyloxycarbonylaminomethyl)-4-hydroxy-butyl]thiophene-2-carboxylate CAS Name: 5-[(3S)-3-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)butyl]-2-thiophenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(3S)-3-(hydroxymethyl)-4-(phenylmethoxycarbonylamino)butyl]thiophene-2-carboxylate Traditional Name: 5-[(3S)-3-(benzyloxycarbonylaminomethyl)-4-hydroxy-butyl]thiophene-2-carboxylic acid benzyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(S2)CCC(CNC(=O)OCC3=CC=CC=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(S2)CC[C@@H](CNC(=O)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C25H27NO5S/c27-16-21(15-26-25(29)31-18-20-9-5-2-6-10-20)11-12-22-13-14-23(32-22)24(28)30-17-19-7-3-1-4-8-19/h1-10,13-14,21,27H,11-12,15-18H2,(H,26,29)/t21-/m0/s1