[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-oxidanyl-phenyl] propanoate

Systemtic Name: [2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-oxidanyl-phenyl] propanoate Openeye Name: [2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-5-hydroxy-phenyl] propanoate CAS Name: propanoic acid [2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-hydroxyphenyl] ester IUPAC Name: [2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-hydroxyphenyl] propanoate Traditional Name: propionic acid [2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-5-hydroxy-phenyl] ester Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=CC(=C1)O)CCC2=CC3=C(S2)C=CC(=C3)C#N

Isomeric SMILES

CCC(=O)OC1=C(C=CC(=C1)O)CCC2=CC3=C(S2)C=CC(=C3)C#N

InChI

InChI=1S/C20H17NO3S/c1-2-20(23)24-18-11-16(22)6-4-14(18)5-7-17-10-15-9-13(12-21)3-8-19(15)25-17/h3-4,6,8-11,22H,2,5,7H2,1H3