ethyl 4-naphthalen-1-yl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-naphthalen-1-yl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(1-naphthyl)-2-(4-phenylbutanoylamino)thiophene-3-carboxylate CAS Name: 4-(1-naphthalenyl)-2-[(1-oxo-4-phenylbutyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-naphthalen-1-yl-2-(4-phenylbutanoylamino)thiophene-3-carboxylate Traditional Name: 4-(1-naphthyl)-2-(4-phenylbutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H25NO3S MolecularWeight: 443.5573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC3=CC=CC=C32)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3S/c1-2-31-27(30)25-23(22-16-9-14-20-13-6-7-15-21(20)22)18-32-26(25)28-24(29)17-8-12-19-10-4-3-5-11-19/h3-7,9-11,13-16,18H,2,8,12,17H2,1H3,(H,28,29)