ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-methylthiophen-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-methylthiophen-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(3-methyl-2-thiophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=C(C=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=C(C=CS4)C

InChI

InChI=1S/C22H21NO5S2/c1-4-26-22(25)18-13(3)17(10-14-5-6-15-16(9-14)28-11-27-15)30-21(18)23-20(24)19-12(2)7-8-29-19/h5-9H,4,10-11H2,1-3H3,(H,23,24)