2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-(ethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[[2-(ethylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-methyl-butyric acid Formula: C14H18N2O4S3 MolecularWeight: 374.49872

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C14H18N2O4S3/c1-4-21-14-15-10-6-5-9(7-11(10)22-14)23(19,20)16-12(8(2)3)13(17)18/h5-8,12,16H,4H2,1-3H3,(H,17,18)