2-[2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]ethanoylamino]-5-methyl-4-pyridin-3-yl-thiophene-3-carboxylic acid

Systemtic Name: 2-[2-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]ethanoylamino]-5-methyl-4-pyridin-3-yl-thiophene-3-carboxylic acid Openeye Name: 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethoxy]acetyl]amino]-5-methyl-4-(3-pyridyl)thiophene-3-carboxylic acid CAS Name: 2-[[2-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethoxy]-1-oxoethyl]amino]-5-methyl-4-(3-pyridinyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-methyl-4-pyridin-3-ylthiophene-3-carboxylic acid Traditional Name: 2-[[2-[2-(4-benzhydrylpiperazino)-2-keto-ethoxy]acetyl]amino]-5-methyl-4-(3-pyridyl)-3-thenoic acid Formula: C32H32N4O5S MolecularWeight: 584.68528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C32H32N4O5S/c1-22-28(25-13-8-14-33-19-25)29(32(39)40)31(42-22)34-26(37)20-41-21-27(38)35-15-17-36(18-16-35)30(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,30H,15-18,20-21H2,1H3,(H,34,37)(H,39,40)