(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 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 (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 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 (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H18ClN3O5S/c1-25-18(22)9-23-19(25)10-28-21(27)14-4-2-3-5-17(14)31-11-20(26)24-13-6-7-15-16(8-13)30-12-29-15/h2-9H,10-12H2,1H3,(H,24,26)