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

Systemtic Name: 3-methyl-2-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid CAS Name: 3-methyl-2-[[2-(propylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butanoic acid IUPAC Name: 3-methyl-2-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoic acid Traditional Name: 3-methyl-2-[[2-(propylthio)-1,3-benzothiazol-6-yl]sulfonylamino]butyric acid Formula: C15H20N2O4S3 MolecularWeight: 388.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C15H20N2O4S3/c1-4-7-22-15-16-11-6-5-10(8-12(11)23-15)24(20,21)17-13(9(2)3)14(18)19/h5-6,8-9,13,17H,4,7H2,1-3H3,(H,18,19)