methyl 2-[(1,3-benzodioxol-5-ylmethylideneamino)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylmethylideneamino)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxol-5-ylmethyleneamino)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxol-5-ylmethylideneamino)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(piperonylideneamino)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O5S/c1-25-18(23)16-12-4-2-3-5-15(12)28-17(16)21-19(24)22-20-9-11-6-7-13-14(8-11)27-10-26-13/h6-9H,2-5,10H2,1H3,(H2,21,22,24)