[(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ethanedithioate

Systemtic Name: [(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ethanedithioate Openeye Name: [(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ethanedithioate CAS Name: ethanedithioic acid [(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propyl] ester IUPAC Name: [(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propyl] ethanedithioate Traditional Name: ethanedithioic acid [(2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ester Formula: C16H21NO3S3 MolecularWeight: 371.53784

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C)CSC(=S)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)[C@H](C)CSC(=S)C

InChI

InChI=1S/C16H21NO3S3/c1-5-6-11-20-15-7-9-16(10-8-15)23(18,19)17(4)13(2)12-22-14(3)21/h7-10,13H,11-12H2,1-4H3/t13-/m1/s1