(2-azanyl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)OCC(=O)N

InChI

InChI=1S/C18H16N2O6S/c19-16(21)8-24-18(23)12-3-1-2-4-15(12)27-9-17(22)20-11-5-6-13-14(7-11)26-10-25-13/h1-7H,8-10H2,(H2,19,21)(H,20,22)