2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid

Systemtic Name: 2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid Openeye Name: 2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid CAS Name: 2-[bis(1-oxo-3-phenylpropyl)amino]-4-(1-ethyl-3-pyrazolyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[bis(3-phenylpropanoyl)amino]-4-(1-ethylpyrazol-3-yl)thiophene-3-carboxylic acid Traditional Name: 2-(dihydrocinnamoylamino)-4-(1-ethylpyrazol-3-yl)-3-thenoic acid Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C2=CSC(=C2C(=O)O)N(C(=O)CCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=CC(=N1)C2=CSC(=C2C(=O)O)N(C(=O)CCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-2-30-18-17-23(29-30)22-19-36-27(26(22)28(34)35)31(24(32)15-13-20-9-5-3-6-10-20)25(33)16-14-21-11-7-4-8-12-21/h3-12,17-19H,2,13-16H2,1H3,(H,34,35)