(2-chloranyl-4-cyano-6-methoxy-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-6-methoxy-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-chloro-4-cyano-6-methoxy-phenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-chloro-4-cyano-6-methoxyphenyl) ester IUPAC Name: (2-chloro-4-cyano-6-methoxyphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-chloro-4-cyano-6-methoxy-phenyl) ester Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)Cl)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H14ClNO3S/c1-21-13-7-10(9-19)6-12(18)16(13)22-17(20)15-8-11-4-2-3-5-14(11)23-15/h6-8H,2-5H2,1H3