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

Systemtic Name: methyl 2-[2-(5-ethyl-1-benzofuran-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(5-ethylbenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-ethyl-3-benzofuranyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(5-ethyl-1-benzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-ethylbenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H23NO4S/c1-3-13-8-9-17-16(10-13)14(12-27-17)11-19(24)23-21-20(22(25)26-2)15-6-4-5-7-18(15)28-21/h8-10,12H,3-7,11H2,1-2H3,(H,23,24)