S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] ethanethioate

Systemtic Name: S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] ethanethioate Openeye Name: S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-phenylsulfanylphenyl)sulfonyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-[4-(phenylthio)phenyl]sulfonylamino]propyl] ester IUPAC Name: S-[2-[2-(2,5-dihydropyrrol-1-yl)ethyl-(4-phenylsulfanylphenyl)sulfonylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[4-(phenylthio)phenyl]sulfonyl-[2-(3-pyrrolin-1-yl)ethyl]amino]propyl] ester Formula: C23H28N2O3S3 MolecularWeight: 476.67502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)N(CCN1CC=CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C)N(CCN1CC=CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3S3/c1-19(18-29-20(2)26)25(17-16-24-14-6-7-15-24)31(27,28)23-12-10-22(11-13-23)30-21-8-4-3-5-9-21/h3-13,19H,14-18H2,1-2H3