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

Systemtic Name: ethyl 2-[[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-1,3-benzodioxol-5-ylmethyleneamino]carbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-1,3-benzodioxol-5-ylmethylideneamino]carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[(E)-piperonylideneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)N/N=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5S/c1-3-27-20(25)18-14-6-4-12(2)8-17(14)30-19(18)23-21(26)24-22-10-13-5-7-15-16(9-13)29-11-28-15/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H2,23,24,26)/b22-10+