ethyl 2-[5-[(4-bromophenyl)carbamoyl]-2-(4-methylphenyl)thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(4-bromophenyl)carbamoyl]-2-(4-methylphenyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(4-bromophenyl)carbamoyl]-2-(p-tolyl)-3-thienyl]acetate CAS Name: 2-[5-[(4-bromoanilino)-oxomethyl]-2-(4-methylphenyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(4-bromophenyl)carbamoyl]-2-(4-methylphenyl)thiophen-3-yl]acetate Traditional Name: 2-[5-[(4-bromophenyl)carbamoyl]-2-(p-tolyl)-3-thienyl]acetic acid ethyl ester Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1)C(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1)C(=O)NC2=CC=C(C=C2)Br)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H20BrNO3S/c1-3-27-20(25)13-16-12-19(22(26)24-18-10-8-17(23)9-11-18)28-21(16)15-6-4-14(2)5-7-15/h4-12H,3,13H2,1-2H3,(H,24,26)