2-azanylbutanoate; 4-chloranyl-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene

Systemtic Name: 2-azanylbutanoate; 4-chloranyl-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene Openeye Name: 2-aminobutanoate; 4-chloro-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene CAS Name: 2-aminobutanoate; 4-chloro-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene IUPAC Name: 2-aminobutanoate; 4-chloro-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene Traditional Name: 2-aminobutyrate; 4-chloro-7-thiabicyclo[4.2.0]octa-1(6),2,4-triene Formula: C11H13ClNO2S- MolecularWeight: 258.74442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N.C1C2=C(S1)C=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)[O-])N.C1C2=C(S1)C=C(C=C2)Cl

InChI

InChI=1S/C7H5ClS.C4H9NO2/c8-6-2-1-5-4-9-7(5)3-6;1-2-3(5)4(6)7/h1-3H,4H2;3H,2,5H2,1H3,(H,6,7)/p-1