3-(1-benzothiophen-3-yl)-2-[(phenylmethyl)carbamoylamino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(benzylcarbamoylamino)propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-(benzylcarbamoylamino)propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(benzylcarbamoylamino)propionic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H18N2O3S/c22-18(23)16(10-14-12-25-17-9-5-4-8-15(14)17)21-19(24)20-11-13-6-2-1-3-7-13/h1-9,12,16H,10-11H2,(H,22,23)(H2,20,21,24)