methyl 2-[2-(azocan-1-yl)ethanoylamino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(azocan-1-yl)ethanoylamino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-azocanyl)-1-oxoethyl]amino]-4-(2,5-dimethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(azocan-1-yl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCCCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-16-9-10-17(2)18(13-16)19-15-29-22(21(19)23(27)28-3)24-20(26)14-25-11-7-5-4-6-8-12-25/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,24,26)