ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(piperonylthiocarbamoylamino)thiophene-2-carboxylic acid ethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

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