methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexylcarbonylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexylcarbonylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexanecarbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[cyclohexyl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(cyclohexanecarbonylamino)-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25NO5S/c1-13-18(11-14-8-9-16-17(10-14)28-12-27-16)29-21(19(13)22(25)26-2)23-20(24)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,23,24)