S-[(2S)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ethanethioate

Systemtic Name: S-[(2S)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ethanethioate Openeye Name: S-[(2S)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propyl] ester IUPAC Name: S-[(2S)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propyl] ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S2/c1-5-6-11-21-15-7-9-16(10-8-15)23(19,20)17(4)13(2)12-22-14(3)18/h7-10,13H,11-12H2,1-4H3/t13-/m0/s1