2-[4-(2-ethylbutanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[4-(2-ethylbutanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[4-(2-ethylbutanoylamino)phenyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-[(2-ethyl-1-oxobutyl)amino]phenyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[4-(2-ethylbutanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(2-ethylbutanoylamino)phenyl]-4-methyl-thiazole-5-carboxylate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)[O-])C

InChI

InChI=1S/C17H20N2O3S/c1-4-11(5-2)15(20)19-13-8-6-12(7-9-13)16-18-10(3)14(23-16)17(21)22/h6-9,11H,4-5H2,1-3H3,(H,19,20)(H,21,22)/p-1