ethyl 2-[2-(furan-2-ylmethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(furan-2-ylmethylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-furylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-furanylmethylamino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(furan-2-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-furfurylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNCC3=CC=CO3

InChI

InChI=1S/C18H22N2O4S/c1-2-23-18(22)16-13-7-3-4-8-14(13)25-17(16)20-15(21)11-19-10-12-6-5-9-24-12/h5-6,9,19H,2-4,7-8,10-11H2,1H3,(H,20,21)