2-(phenylmethoxycarbonylamino)-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)butanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-(5-thioxo-2H-tetrazol-1-yl)butanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-4-(5-sulfanylidene-2H-tetrazol-1-yl)butanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-4-(5-sulfanylidene-2H-tetrazol-1-yl)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-(5-thioxo-2H-tetrazol-1-yl)butyric acid Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCN2C(=S)N=NN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCN2C(=S)N=NN2)C(=O)O

InChI

InChI=1S/C13H15N5O4S/c19-11(20)10(6-7-18-12(23)15-16-17-18)14-13(21)22-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,21)(H,19,20)(H,15,17,23)