2-[3-(phenylmethyl)-2-(sulfanylcarbonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-(phenylmethyl)-2-(sulfanylcarbonylamino)phenyl]ethanoic acid Openeye Name: 2-[3-benzyl-2-(sulfanylcarbonylamino)phenyl]acetic acid CAS Name: 2-[2-[[mercapto(oxo)methyl]amino]-3-(phenylmethyl)phenyl]acetic acid IUPAC Name: 2-[3-benzyl-2-(sulfanylcarbonylamino)phenyl]acetic acid Traditional Name: 2-[3-benzyl-2-(thiocarboxyamino)phenyl]acetic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=CC=C2)CC(=O)O)NC(=O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=CC=C2)CC(=O)O)NC(=O)S

InChI

InChI=1S/C16H15NO3S/c18-14(19)10-13-8-4-7-12(15(13)17-16(20)21)9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)