2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-hydroxy-propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-7-9(13(18)19)14-11(17)5-6-12-15-8-3-1-2-4-10(8)20-12/h1-4,9,16H,5-7H2,(H,14,17)(H,18,19)