sodium 2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoate

Systemtic Name: sodium 2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoate Openeye Name: sodium 3-phenyl-2-(p-tolylmethylsulfanylcarbonylamino)propanoate CAS Name: sodium 2-[[[(4-methylphenyl)methylthio]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: sodium 2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoate Traditional Name: sodium 2-[[(4-methylbenzyl)thio]carbonylamino]-3-phenyl-propionate Formula: C18H18NNaO3S MolecularWeight: 351.39519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(=O)NC(CC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)CSC(=O)NC(CC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H19NO3S.Na/c1-13-7-9-15(10-8-13)12-23-18(22)19-16(17(20)21)11-14-5-3-2-4-6-14;/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21);/q;+1/p-1