ethyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-3-33-27(32)23-18-20(2)34-26(23)28-24(31)19-29-14-16-30(17-15-29)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18,25H,3,14-17,19H2,1-2H3,(H,28,31)