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

Systemtic Name: ethyl 2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-keto-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H20N2O5S/c1-2-26-19(24)17-12-7-3-6-10-15(12)28-18(17)21-16(23)11-22-13-8-4-5-9-14(13)27-20(22)25/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,21,23)