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

Systemtic Name: methyl 4-[5-(5,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[5-(5,7-dimethylbenzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate CAS Name: 4-[5-(5,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(5,7-dimethyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]benzoate Traditional Name: 4-[5-(5,7-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=CC(=C2C(=C1)C=C(S2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(S2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)OC)C

InChI

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