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

Systemtic Name: ethyl 2-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-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)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O

InChI

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