methyl 2-[(4-ethylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(4-ethylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-ethylphenyl)sulfonylamino]propanoate CAS Name: 2-[(4-ethylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-ethylphenyl)sulfonylamino]propionic acid methyl ester Formula: C19H23NO4S2 MolecularWeight: 393.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H23NO4S2/c1-3-15-9-11-17(12-10-15)26(22,23)20-18(19(21)24-2)14-25-13-16-7-5-4-6-8-16/h4-12,18,20H,3,13-14H2,1-2H3