3-[[bis(1-hydroxyethyl)amino]methyl]thiirene-2-carboxylic acid

Systemtic Name: 3-[[bis(1-hydroxyethyl)amino]methyl]thiirene-2-carboxylic acid Openeye Name: 3-[[bis(1-hydroxyethyl)amino]methyl]thiirene-2-carboxylic acid CAS Name: 3-[[bis(1-hydroxyethyl)amino]methyl]-2-thiirenecarboxylic acid IUPAC Name: 3-[[bis(1-hydroxyethyl)amino]methyl]thiirene-2-carboxylic acid Traditional Name: 3-[[bis(1-hydroxyethyl)amino]methyl]thiirene-2-carboxylic acid Formula: C8H13NO4S MolecularWeight: 219.25812

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(CC1=C(S1)C(=O)O)C(C)O)O

Isomeric SMILES

CC(N(CC1=C(S1)C(=O)O)C(C)O)O

InChI

InChI=1S/C8H13NO4S/c1-4(10)9(5(2)11)3-6-7(14-6)8(12)13/h4-5,10-11H,3H2,1-2H3,(H,12,13)