methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(C=C2)OCCO3)C

InChI

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