methyl 4-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]acetyl]amino]benzoic acid methyl ester Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-26-19(25)14-2-4-15(5-3-14)21-18(24)13-23-10-8-22(9-11-23)12-16-6-7-17(20)27-16/h2-7H,8-13H2,1H3,(H,21,24)