(2R)-2-acetamido-3-[(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid Openeye Name: (2R)-2-acetamido-3-[(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid CAS Name: (2R)-2-acetamido-3-[[[(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)amino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)carbamothioylsulfanyl]propanoic acid Traditional Name: (2R)-2-acetamido-3-[(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)thiocarbamoylthio]propionic acid Formula: C18H23N3O3S3 MolecularWeight: 425.58852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=S)SCC(C(=O)O)NC(=O)C)SC(=N2)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1NC(=S)SC[C@@H](C(=O)O)NC(=O)C)SC(=N2)C(C)(C)C

InChI

InChI=1S/C18H23N3O3S3/c1-9-6-12-14(27-16(20-12)18(3,4)5)7-11(9)21-17(25)26-8-13(15(23)24)19-10(2)22/h6-7,13H,8H2,1-5H3,(H,19,22)(H,21,25)(H,23,24)/t13-/m0/s1