methyl 2-[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(5-bromanylthiophen-3-yl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(5-bromo-3-thiophenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(5-bromothiophene-3-carbonyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C18H18BrClN2O3S MolecularWeight: 457.76912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CSC(=C3)Br

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CSC(=C3)Br

InChI

InChI=1S/C18H18BrClN2O3S/c1-25-18(24)16(12-2-4-14(20)5-3-12)21-6-8-22(9-7-21)17(23)13-10-15(19)26-11-13/h2-5,10-11,16H,6-9H2,1H3