methyl 2-[2-(2-prop-2-enylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-prop-2-enylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-allylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-prop-2-enylphenoxy)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-prop-2-enylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-allylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3CC=C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3CC=C

InChI

InChI=1S/C21H23NO4S/c1-3-8-14-9-4-6-11-16(14)26-13-18(23)22-20-19(21(24)25-2)15-10-5-7-12-17(15)27-20/h3-4,6,9,11H,1,5,7-8,10,12-13H2,2H3,(H,22,23)