2-(1-benzothiophen-3-yl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-(1-benzothiophen-3-yl)-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-(benzothiophen-3-yl)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-(1-benzothiophen-3-yl)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-(1-benzothiophen-3-yl)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-(benzothiophen-3-yl)-2-[(2-benzyl-3-mercapto-propanoyl)amino]acetic acid Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(C2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(C2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C20H19NO3S2/c22-19(14(11-25)10-13-6-2-1-3-7-13)21-18(20(23)24)16-12-26-17-9-5-4-8-15(16)17/h1-9,12,14,18,25H,10-11H2,(H,21,22)(H,23,24)