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

Systemtic Name: 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-(4-butylanilino)-2-oxo-ethyl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(4-butylanilino)-2-oxoethyl]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[2-(4-butylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-butylanilino)-2-keto-ethyl]-4-methyl-thiazole-5-carboxylate Formula: C17H19N2O3S- MolecularWeight: 331.40936

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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)/p-1