2-(4-chlorophenyl)sulfanylethyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H15ClO3S MolecularWeight: 346.8279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClO3S/c1-12-15-4-2-3-5-16(15)22-17(12)18(20)21-10-11-23-14-8-6-13(19)7-9-14/h2-9H,10-11H2,1H3