2-[[2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-propan-2-yloxy-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-oxidanylidene-3-propan-2-yloxy-propanoyl]amino]benzoic acid Openeye Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-isopropoxy-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dioxo-3-propan-2-yloxypropyl]amino]benzoic acid IUPAC Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-oxo-3-propan-2-yloxypropanoyl]amino]benzoic acid Traditional Name: 2-[[2-(1,3-dithiol-2-ylidene)-3-isopropoxy-3-keto-propanoyl]amino]benzoic acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)OC(=O)C(=C1SC=CS1)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H15NO5S2/c1-9(2)22-15(21)12(16-23-7-8-24-16)13(18)17-11-6-4-3-5-10(11)14(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)