methyl 1-(1-benzothiophen-3-yl)-3H-[1]benzothiolo[2,3-b]pyrrole-2-carboxylate

Systemtic Name: methyl 1-(1-benzothiophen-3-yl)-3H-[1]benzothiolo[2,3-b]pyrrole-2-carboxylate Openeye Name: methyl 1-(benzothiophen-3-yl)-3H-benzothiopheno[2,3-b]pyrrole-2-carboxylate CAS Name: 1-(1-benzothiophen-3-yl)-3H-[1]benzothiolo[2,3-b]pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzothiophen-3-yl)-3H-[1]benzothiolo[2,3-b]pyrrole-2-carboxylate Traditional Name: 1-(benzothiophen-3-yl)-3H-benzothiopheno[2,3-b]pyrrole-2-carboxylic acid methyl ester Formula: C20H13NO2S2 MolecularWeight: 363.45272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)SC3=CC=CC=C32)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)SC3=CC=CC=C32)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C20H13NO2S2/c1-23-20(22)18-16(13-10-24-14-8-4-2-6-11(13)14)17-12-7-3-5-9-15(12)25-19(17)21-18/h2-10,21H,1H3