methyl 5-chloranyl-2-[2-(3-phenoxyphenyl)ethanoylamino]-4-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-chloranyl-2-[2-(3-phenoxyphenyl)ethanoylamino]-4-propyl-thiophene-3-carboxylate Openeye Name: methyl 5-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]-4-propyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-(3-phenoxyphenyl)ethyl]amino]-4-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]-4-propylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]-4-propyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

Isomeric SMILES

CCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClNO4S/c1-3-8-18-20(23(27)28-2)22(30-21(18)24)25-19(26)14-15-9-7-12-17(13-15)29-16-10-5-4-6-11-16/h4-7,9-13H,3,8,14H2,1-2H3,(H,25,26)