2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxidanylidene-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxo-propanoic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(butylamino)-3-oxopropanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(butylamino)-3-oxopropanoic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-(butylamino)-3-keto-propionic acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CCCCNC(=O)C(CSC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C15H18N2O3S2/c1-2-3-8-16-13(18)10(14(19)20)9-21-15-17-11-6-4-5-7-12(11)22-15/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)(H,19,20)