2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid Openeye Name: 2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid CAS Name: 2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonylamino]propanoic acid IUPAC Name: 2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]propanoic acid Traditional Name: 2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonylamino]propionic acid Formula: C15H20N2O4S3 MolecularWeight: 388.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C)C(=O)O

InChI

InChI=1S/C15H20N2O4S3/c1-3-4-5-8-22-15-16-12-7-6-11(9-13(12)23-15)24(20,21)17-10(2)14(18)19/h6-7,9-10,17H,3-5,8H2,1-2H3,(H,18,19)