ethyl 5-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-(azepane-1-carbonyl)-1-piperidyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(azepane-1-carbonyl)piperidino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCC(CC2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H33N3O4S/c1-3-29-22(28)20-16(2)14-19(30-20)23-18(26)15-24-12-8-17(9-13-24)21(27)25-10-6-4-5-7-11-25/h14,17H,3-13,15H2,1-2H3,(H,23,26)