methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(1,3-benzodioxol-5-ylcarbamothioylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-ylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H13ClN2O4S2 MolecularWeight: 420.88982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C18H13ClN2O4S2/c1-23-17(22)16-15(19)11-4-2-10(7-14(11)27-16)21-18(26)20-9-3-5-12-13(6-9)25-8-24-12/h2-7H,8H2,1H3,(H2,20,21,26)