ethyl 2-[2-(azepan-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3CCCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-2-26-21(25)17-14-18(16-10-6-5-7-11-16)27-20(17)22-19(24)15-23-12-8-3-4-9-13-23/h5-7,10-11,14H,2-4,8-9,12-13,15H2,1H3,(H,22,24)