3-(1-benzothiophen-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(1-benzothiophen-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzothiophene-2-carbonylamino)-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[1-benzothiophen-2-yl(oxo)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(1-benzothiophene-2-carbonylamino)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzothiophene-2-carbonylamino)-2-(benzyloxycarbonylamino)propionic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C20H18N2O5S/c23-18(17-10-14-8-4-5-9-16(14)28-17)21-11-15(19(24)25)22-20(26)27-12-13-6-2-1-3-7-13/h1-10,15H,11-12H2,(H,21,23)(H,22,26)(H,24,25)