methyl 2-[2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(5-chloro-2-methoxy-benzyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=C(C=CC(=C3)Cl)OC)C(=O)OC

InChI

InChI=1S/C21H26ClN3O4S/c1-14-10-17(21(27)29-3)20(30-14)23-19(26)13-25-8-6-24(7-9-25)12-15-11-16(22)4-5-18(15)28-2/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,23,26)