ethyl 2-[2-(1,3-benzodioxol-5-ylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzodioxol-5-ylamino)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CNC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-2-25-20(24)18-13-5-3-4-6-16(13)28-19(18)22-17(23)10-21-12-7-8-14-15(9-12)27-11-26-14/h7-9,21H,2-6,10-11H2,1H3,(H,22,23)