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

Systemtic Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(1-azepanyl)-1-oxopropyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(azepan-1-yl)propanoylamino]-4-(4-phenylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CCN4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)CCN4CCCCCC4

InChI

InChI=1S/C28H32N2O3S/c1-2-33-28(32)26-24(23-14-12-22(13-15-23)21-10-6-5-7-11-21)20-34-27(26)29-25(31)16-19-30-17-8-3-4-9-18-30/h5-7,10-15,20H,2-4,8-9,16-19H2,1H3,(H,29,31)