ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(1-azepanyl)-1-oxopropyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3CCCCCC3

InChI

InChI=1S/C23H30N2O4S/c1-3-29-23(27)21-19(17-8-10-18(28-2)11-9-17)16-30-22(21)24-20(26)12-15-25-13-6-4-5-7-14-25/h8-11,16H,3-7,12-15H2,1-2H3,(H,24,26)