methyl 6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[(1-oxo-3-phenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-(hydrocinnamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-3-14-9-11-16-17(13-14)26-20(19(16)21(24)25-2)22-18(23)12-10-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,22,23)