2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylamino)-3-(methylcarbamoyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylamino)-3-(methylcarbamoyl)-5-oxidanylidene-pentanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylamino)-3-(methylcarbamoyl)-5-oxo-pentanoic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-(methylamino)-3-(methylcarbamoyl)-5-oxopentanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylamino)-3-(methylcarbamoyl)-5-oxopentanoic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-keto-5-(methylamino)-3-(methylcarbamoyl)valeric acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)NC

Isomeric SMILES

CNC(=O)CC(C(CSC1=NC2=CC=CC=C2S1)C(=O)O)C(=O)NC

InChI

InChI=1S/C16H19N3O4S2/c1-17-13(20)7-9(14(21)18-2)10(15(22)23)8-24-16-19-11-5-3-4-6-12(11)25-16/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)