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

Systemtic Name: methyl 6-(1,3-benzodioxol-5-ylcarbonylamino)-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(1,3-benzodioxole-5-carbonylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(1,3-benzodioxole-5-carbonylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(piperonyloylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H12ClNO5S MolecularWeight: 389.80958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClNO5S/c1-23-18(22)16-15(19)11-4-3-10(7-14(11)26-16)20-17(21)9-2-5-12-13(6-9)25-8-24-12/h2-7H,8H2,1H3,(H,20,21)