4-[[(5S)-4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(5S)-4-oxidanylidene-5-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[(5S)-5-(2-anilino-2-oxo-ethyl)-4-oxo-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[(5S)-5-(2-anilino-2-keto-ethyl)-4-keto-2-thiazolin-2-yl]amino]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N=C(S2)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O4S/c22-15(19-12-4-2-1-3-5-12)10-14-16(23)21-18(26-14)20-13-8-6-11(7-9-13)17(24)25/h1-9,14H,10H2,(H,19,22)(H,24,25)(H,20,21,23)/t14-/m0/s1