methyl (2S)-3-methyl-3-(3-oxidanylpropylsulfanyl)-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-3-(3-oxidanylpropylsulfanyl)-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]butanoate Openeye Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-3-methyl-2-[[5-(2-pyridyl)-2-thienyl]sulfonylamino]butanoate CAS Name: (2S)-3-(3-hydroxypropylthio)-3-methyl-2-[[5-(2-pyridinyl)-2-thiophenyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-hydroxypropylsulfanyl)-3-methyl-2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]butanoate Traditional Name: (2S)-3-(3-hydroxypropylthio)-3-methyl-2-[[5-(2-pyridyl)-2-thienyl]sulfonylamino]butyric acid methyl ester Formula: C18H24N2O5S3 MolecularWeight: 444.58856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=C(S1)C2=CC=CC=N2)SCCCO

Isomeric SMILES

CC(C)([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(S1)C2=CC=CC=N2)SCCCO

InChI

InChI=1S/C18H24N2O5S3/c1-18(2,26-12-6-11-21)16(17(22)25-3)20-28(23,24)15-9-8-14(27-15)13-7-4-5-10-19-13/h4-5,7-10,16,20-21H,6,11-12H2,1-3H3/t16-/m0/s1