ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-(dimethylcarbamothioylsulfanyl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-(dimethylcarbamothioylsulfanyl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[[dimethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(dimethylcarbamothioylsulfanyl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(dimethylthiocarbamoylthio)acetyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O5S3 MolecularWeight: 480.62066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CSC(=S)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)CSC(=S)N(C)C

InChI

InChI=1S/C21H24N2O5S3/c1-5-26-20(25)18-12(2)16(9-13-6-7-14-15(8-13)28-11-27-14)31-19(18)22-17(24)10-30-21(29)23(3)4/h6-8H,5,9-11H2,1-4H3,(H,22,24)