ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO6S2/c1-4-25-20(24)17-11(2)18(12(3)22)29-19(17)21-16(23)10-28-13-5-6-14-15(9-13)27-8-7-26-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,23)