2-[2-[[carboxymethyl-(phenylmethyl)amino]methyl]prop-2-enylsulfanyl]benzoic acid

Systemtic Name: 2-[2-[[carboxymethyl-(phenylmethyl)amino]methyl]prop-2-enylsulfanyl]benzoic acid Openeye Name: 2-[2-[[benzyl(carboxymethyl)amino]methyl]allylsulfanyl]benzoic acid CAS Name: 2-[2-[[carboxymethyl-(phenylmethyl)amino]methyl]prop-2-enylthio]benzoic acid IUPAC Name: 2-[2-[[benzyl(carboxymethyl)amino]methyl]prop-2-enylsulfanyl]benzoic acid Traditional Name: 2-[2-[[benzyl(carboxymethyl)amino]methyl]allylthio]benzoic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN(CC1=CC=CC=C1)CC(=O)O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C=C(CN(CC1=CC=CC=C1)CC(=O)O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H21NO4S/c1-15(14-26-18-10-6-5-9-17(18)20(24)25)11-21(13-19(22)23)12-16-7-3-2-4-8-16/h2-10H,1,11-14H2,(H,22,23)(H,24,25)