methyl 3-[4-(2-dimethylaminoethyloxy)phenyl]carbonyl-2-(3-methylphenyl)-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 3-[4-(2-dimethylaminoethyloxy)phenyl]carbonyl-2-(3-methylphenyl)-1-benzothiophene-6-carboxylate Openeye Name: methyl 3-[4-(2-dimethylaminoethyloxy)benzoyl]-2-(m-tolyl)benzothiophene-6-carboxylate CAS Name: 3-[[4-(2-dimethylaminoethyloxy)phenyl]-oxomethyl]-2-(3-methylphenyl)-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-dimethylaminoethyloxy)benzoyl]-2-(3-methylphenyl)-1-benzothiophene-6-carboxylate Traditional Name: 3-[4-(2-dimethylaminoethyloxy)benzoyl]-2-(m-tolyl)benzothiophene-6-carboxylic acid methyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCN(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCN(C)C

InChI

InChI=1S/C28H27NO4S/c1-18-6-5-7-20(16-18)27-25(23-13-10-21(28(31)32-4)17-24(23)34-27)26(30)19-8-11-22(12-9-19)33-15-14-29(2)3/h5-13,16-17H,14-15H2,1-4H3