(4-methylphenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-methylphenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: p-tolylmethyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-methylbenzyl) ester Formula: C17H13ClO2S MolecularWeight: 316.80192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H13ClO2S/c1-11-6-8-12(9-7-11)10-20-17(19)16-15(18)13-4-2-3-5-14(13)21-16/h2-9H,10H2,1H3