3-[2-[(5S)-2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(5S)-2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(5S)-2-(diethylamino)-4-oxo-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5S)-2-(diethylamino)-4-oxo-5-thiazolyl]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5S)-2-(diethylamino)-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoate Formula: C16H18N3O4S- MolecularWeight: 348.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC(=O)[C@@H](S1)CC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-3-19(4-2)16-18-14(21)12(24-16)9-13(20)17-11-7-5-6-10(8-11)15(22)23/h5-8,12H,3-4,9H2,1-2H3,(H,17,20)(H,22,23)/p-1/t12-/m0/s1