2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(5-benzoyl-2-thienyl)propanoic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(5-benzoyl-2-thiophenyl)propanoic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(5-benzoylthiophen-2-yl)propanoic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 2-(5-benzoyl-2-thienyl)propionic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O.C(C(CO)(CO)N)O

Isomeric SMILES

CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O.C(C(CO)(CO)N)O

InChI

InChI=1S/C14H12O3S.C4H11NO3/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10;5-4(1-6,2-7)3-8/h2-9H,1H3,(H,16,17);6-8H,1-3,5H2