[4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxy-phenyl] propanoate

Systemtic Name: [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxy-phenyl] propanoate Openeye Name: [4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-methoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-methoxyphenyl] propanoate Traditional Name: propionic acid [4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OC

InChI

InChI=1S/C20H20N2O3S/c1-3-19(23)25-16-9-8-13(10-17(16)24-2)12-22-20-15(11-21)14-6-4-5-7-18(14)26-20/h8-10,12H,3-7H2,1-2H3