3-[[3-(2-carboxyethylsulfanylcarbonylamino)-4-methyl-phenyl]carbamoylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-(2-carboxyethylsulfanylcarbonylamino)-4-methyl-phenyl]carbamoylsulfanyl]propanoic acid Openeye Name: 3-[[3-(2-carboxyethylsulfanylcarbonylamino)-4-methyl-phenyl]carbamoylsulfanyl]propanoic acid CAS Name: 3-[[[3-[[(2-carboxyethylthio)-oxomethyl]amino]-4-methylanilino]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[[3-(2-carboxyethylsulfanylcarbonylamino)-4-methylphenyl]carbamoylsulfanyl]propanoic acid Traditional Name: 3-[[3-[(2-carboxyethylthio)carbonylamino]-4-methyl-phenyl]carbamoylthio]propionic acid Formula: C15H18N2O6S2 MolecularWeight: 386.44322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)SCCC(=O)O)NC(=O)SCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)SCCC(=O)O)NC(=O)SCCC(=O)O

InChI

InChI=1S/C15H18N2O6S2/c1-9-2-3-10(16-14(22)24-6-4-12(18)19)8-11(9)17-15(23)25-7-5-13(20)21/h2-3,8H,4-7H2,1H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)