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3-(butylamino)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxidanylidene-propanoic acid

3-(butylamino)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxidanylidene-propanoic acid

Systemtic Name:3-(butylamino)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxidanylidene-propanoic acid
Openeye Name:3-(butylamino)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxo-propanoic acid
CAS Name:3-(butylamino)-2-[[(6-methyl-1,3-benzothiazol-2-yl)thio]methyl]-3-oxopropanoic acid
IUPAC Name:3-(butylamino)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3-oxopropanoic acid
Traditional Name:3-(butylamino)-3-keto-2-[[(6-methyl-1,3-benzothiazol-2-yl)thio]methyl]propionic acid
Formula: C16H20N2O3S2
MolecularWeight: 352.4716
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CSC1=NC2=C(S1)C=C(C=C2)C)C(=O)O


Isomeric SMILES

CCCCNC(=O)C(CSC1=NC2=C(S1)C=C(C=C2)C)C(=O)O


InChI

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


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