(2-azanyl-2-oxidanylidene-ethyl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-2-benzofurancarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]coumarilic acid (2-amino-2-keto-ethyl) ester Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)OCC(=O)N)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)OCC(=O)N)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO4S/c19-11-5-7-12(8-6-11)25-10-14-13-3-1-2-4-15(13)24-17(14)18(22)23-9-16(20)21/h1-8H,9-10H2,(H2,20,21)