2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[2-(4-butylanilino)-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[2-(4-butylanilino)-2-oxoethyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[2-(4-butylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[2-(4-butylanilino)-2-keto-ethyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC2=NC(=C(S2)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CC2=NC(=C(S2)C(=O)O)C

InChI

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