methyl 4-[5-(4,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(4,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[5-(4,7-dimethylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate CAS Name: 4-[5-(4,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate Traditional Name: 4-[5-(4,7-dimethylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid methyl ester Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(SC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C=C(SC2=C(C=C1)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19NO2S/c1-13-4-5-14(2)21-17(13)12-20(26-21)19-11-10-18(23-19)15-6-8-16(9-7-15)22(24)25-3/h4-12,23H,1-3H3