methyl 3-chloranyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H15ClN2O4S2 MolecularWeight: 434.9164

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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)OCCO4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C19H15ClN2O4S2/c1-24-18(23)17-16(20)12-4-2-11(9-15(12)28-17)22-19(27)21-10-3-5-13-14(8-10)26-7-6-25-13/h2-5,8-9H,6-7H2,1H3,(H2,21,22,27)