(3-chloranyl-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H16ClNO3S2 MolecularWeight: 405.91824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClNO3S2/c1-12(22)21-13-6-8-14(9-7-13)25-11-18(23)24-10-17-19(20)15-4-2-3-5-16(15)26-17/h2-9H,10-11H2,1H3,(H,21,22)