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

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-3-11-9-12(16(20)21-2)15(25-11)19-17(24)18-10-4-5-13-14(8-10)23-7-6-22-13/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,19,24)