ethyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propionic acid ethyl ester Formula: C20H25NO6S2 MolecularWeight: 439.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H25NO6S2/c1-4-27-20(22)17(14-28-13-15-8-6-5-7-9-15)21-29(23,24)19-12-16(25-2)10-11-18(19)26-3/h5-12,17,21H,4,13-14H2,1-3H3