methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(piperonyloylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-22-18(21)15-11-4-2-3-5-14(11)25-17(15)19-16(20)10-6-7-12-13(8-10)24-9-23-12/h6-8H,2-5,9H2,1H3,(H,19,20)