[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C21H23NO5S/c1-2-15(27-21(24)19-11-13-5-3-4-6-18(13)28-19)20(23)22-14-7-8-16-17(12-14)26-10-9-25-16/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,22,23)