methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H20N2O4S2/c1-9-11(3)26-16(15(9)17(21)22-4)20-18(25)19-10(2)12-5-6-13-14(7-12)24-8-23-13/h5-7,10H,8H2,1-4H3,(H2,19,20,25)