(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-phenylazanyl-3-sulfanylidene-propanoic acid

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-phenylazanyl-3-sulfanylidene-propanoic acid Openeye Name: (2S)-3-anilino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-thioxo-propanoic acid CAS Name: (2S)-3-anilino-2-(1,3-benzothiazol-2-ylthio)-3-sulfanylidenepropanoic acid IUPAC Name: (2S)-3-anilino-2-(1,3-benzothiazol-2-ylsulfanyl)-3-sulfanylidenepropanoic acid Traditional Name: (2S)-3-anilino-2-(1,3-benzothiazol-2-ylthio)-3-thioxo-propionic acid Formula: C16H12N2O2S3 MolecularWeight: 360.47368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C(C(=O)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)[C@H](C(=O)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H12N2O2S3/c19-15(20)13(14(21)17-10-6-2-1-3-7-10)23-16-18-11-8-4-5-9-12(11)22-16/h1-9,13H,(H,17,21)(H,19,20)/t13-/m1/s1