methyl 3-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H24ClN3O3S/c1-14-3-4-15(20(26)27-2)11-17(14)22-19(25)13-24-9-7-23(8-10-24)12-16-5-6-18(21)28-16/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,25)