azanium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-hex-5-enoate

Systemtic Name: azanium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-hex-5-enoate Openeye Name: ammonium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxy-hex-5-enoate CAS Name: ammonium 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-carboxy-5-hexenoate IUPAC Name: azanium 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-carboxyhex-5-enoate Traditional Name: ammonium 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-carboxy-hex-5-enoate Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)O.[NH4+]

Isomeric SMILES

C=CCC(C(CSC1=NC2=CC=CC=C2S1)C(=O)[O-])C(=O)O.[NH4+]

InChI

InChI=1S/C15H15NO4S2.H3N/c1-2-5-9(13(17)18)10(14(19)20)8-21-15-16-11-6-3-4-7-12(11)22-15;/h2-4,6-7,9-10H,1,5,8H2,(H,17,18)(H,19,20);1H3