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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-15-17-10-5-6-11-18(17)26-20(15)21(24)25-14-19(23)22-12-7-13-27-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3,(H,22,23)