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

Systemtic Name: methyl 3-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC)F

InChI

InChI=1S/C20H24FN3O4S/c1-27-17-4-3-14(11-15(17)21)12-23-6-8-24(9-7-23)13-18(25)22-16-5-10-29-19(16)20(26)28-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,25)