[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC

InChI

InChI=1S/C16H17NO6S/c1-3-21-16(20)17-13(18)8-22-15(19)14-11(9-24-2)10-6-4-5-7-12(10)23-14/h4-7H,3,8-9H2,1-2H3,(H,17,18,20)