(2-azanyl-2-oxidanylidene-ethyl) 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid (2-amino-2-keto-ethyl) ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N

InChI

InChI=1S/C19H17NO4S/c20-17(21)10-23-19(22)18-15(14-8-4-5-9-16(14)24-18)12-25-11-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,21)