2-(2-ethylbutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: 2-(2-ethylbutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: 2-(2-ethylbutanoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-5-methyl-4-phenyl-3-thiophenecarboxylate IUPAC Name: 2-(2-ethylbutanoylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(2-ethylbutanoylamino)-5-methyl-4-phenyl-3-thenoate Formula: C18H20NO3S- MolecularWeight: 330.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C18H21NO3S/c1-4-12(5-2)16(20)19-17-15(18(21)22)14(11(3)23-17)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3,(H,19,20)(H,21,22)/p-1