N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-ethyl-N-veratryl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H25NO3S/c1-4-13-6-8-18-15(9-13)11-19(25-18)20(22)21-12-14-5-7-16(23-2)17(10-14)24-3/h5,7,10-11,13H,4,6,8-9,12H2,1-3H3,(H,21,22)