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

Systemtic Name: ethyl 2-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O5S/c1-2-27-21(26)19-13-7-3-6-10-16(13)29-20(19)22-17(24)11-23-14-8-4-5-9-15(14)28-12-18(23)25/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,24)