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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-ylcarbamoyl)propyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H21NO5S/c1-2-14(19(22)21-13-7-8-15-16(10-13)25-11-24-15)26-20(23)18-9-12-5-3-4-6-17(12)27-18/h7-10,14H,2-6,11H2,1H3,(H,21,22)