3-oxidanyl-2-[[(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazol-6-yl]carbonylamino]propanoate

Systemtic Name: 3-oxidanyl-2-[[(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazol-6-yl]carbonylamino]propanoate Openeye Name: 3-hydroxy-2-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazole-6-carbonyl]amino]propanoate CAS Name: 3-hydroxy-2-[[oxo-[(2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzothiazol-6-yl]methyl]amino]propanoate IUPAC Name: 3-hydroxy-2-[[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazole-6-carbonyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[(2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzothiazole-6-carbonyl]amino]propionate Formula: C17H13N2O5S- MolecularWeight: 357.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NC3=C(S2)C=C(C=C3)C(=O)NC(CO)C(=O)[O-])C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/NC3=C(S2)C=C(C=C3)C(=O)NC(CO)C(=O)[O-])/C(=O)C=C1

InChI

InChI=1S/C17H14N2O5S/c20-8-12(17(23)24)18-15(22)9-5-6-11-14(7-9)25-16(19-11)10-3-1-2-4-13(10)21/h1-7,12,19-20H,8H2,(H,18,22)(H,23,24)/p-1/b16-10+