(2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(1,3-dithian-2-yl)benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)N

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)N

InChI

InChI=1S/C13H15NO3S2/c14-11(15)8-17-12(16)9-2-4-10(5-3-9)13-18-6-1-7-19-13/h2-5,13H,1,6-8H2,(H2,14,15)