methyl 2-[2-(5-methoxy-1-benzofuran-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(5-methoxy-1-benzofuran-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(5-methoxybenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-methoxy-3-benzofuranyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(5-methoxy-1-benzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-methoxybenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C21H21NO5S/c1-25-13-7-8-16-15(10-13)12(11-27-16)9-18(23)22-20-19(21(24)26-2)14-5-3-4-6-17(14)28-20/h7-8,10-11H,3-6,9H2,1-2H3,(H,22,23)