ethyl 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5-ethyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4)C(=O)OCC)C

InChI

InChI=1S/C22H31N5O3S2/c1-4-16-14(3)18(20(29)30-5-2)19(32-16)23-17(28)13-31-22-25-24-21(27(22)15-9-10-15)26-11-7-6-8-12-26/h15H,4-13H2,1-3H3,(H,23,28)