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

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C22H23N3O5S2/c1-4-28-21(27)19-13(2)17(10-14-5-6-15-16(9-14)30-12-29-15)32-20(19)24-18(26)11-31-22-23-7-8-25(22)3/h5-9H,4,10-12H2,1-3H3,(H,24,26)