4-oxidanylidene-4-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]butanoic acid Openeye Name: 4-oxo-4-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]butanoic acid CAS Name: 4-oxo-4-[[2-(pentylthio)-1,3-benzothiazol-6-yl]amino]butanoic acid IUPAC Name: 4-oxo-4-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)amino]butanoic acid Traditional Name: 4-[[2-(amylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O3S2/c1-2-3-4-9-22-16-18-12-6-5-11(10-13(12)23-16)17-14(19)7-8-15(20)21/h5-6,10H,2-4,7-9H2,1H3,(H,17,19)(H,20,21)