4-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoic acid CAS Name: 4-methyl-2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonylamino]pentanoic acid IUPAC Name: 4-methyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]pentanoic acid Traditional Name: 2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-4-methyl-valeric acid Formula: C18H26N2O4S3 MolecularWeight: 430.60504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S3/c1-4-5-6-9-25-18-19-14-8-7-13(11-16(14)26-18)27(23,24)20-15(17(21)22)10-12(2)3/h7-8,11-12,15,20H,4-6,9-10H2,1-3H3,(H,21,22)