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

Systemtic Name: 4-[2-[(5S)-2-(methylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5S)-2-(methylamino)-4-oxo-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5S)-2-(methylamino)-4-oxo-5-thiazolyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(5S)-2-(methylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5S)-4-keto-2-(methylamino)-2-thiazolin-5-yl]acetyl]amino]benzoate Formula: C13H12N3O4S- MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=O)C(S1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CNC1=NC(=O)[C@@H](S1)CC(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-14-13-16-11(18)9(21-13)6-10(17)15-8-4-2-7(3-5-8)12(19)20/h2-5,9H,6H2,1H3,(H,15,17)(H,19,20)(H,14,16,18)/p-1/t9-/m0/s1