4-[5-cyano-4-oxidanylidene-6-(phenylmethylsulfanyl)-2,3-dihydro-1,3-thiazin-2-yl]benzoic acid

Systemtic Name: 4-[5-cyano-4-oxidanylidene-6-(phenylmethylsulfanyl)-2,3-dihydro-1,3-thiazin-2-yl]benzoic acid Openeye Name: 4-(6-benzylsulfanyl-5-cyano-4-oxo-2,3-dihydro-1,3-thiazin-2-yl)benzoic acid CAS Name: 4-[5-cyano-4-oxo-6-(phenylmethylthio)-2,3-dihydro-1,3-thiazin-2-yl]benzoic acid IUPAC Name: 4-(6-benzylsulfanyl-5-cyano-4-oxo-2,3-dihydro-1,3-thiazin-2-yl)benzoic acid Traditional Name: 4-[6-(benzylthio)-5-cyano-4-keto-2,3-dihydro-1,3-thiazin-2-yl]benzoic acid Formula: C19H14N2O3S2 MolecularWeight: 382.45606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)NC(S2)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)NC(S2)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C19H14N2O3S2/c20-10-15-16(22)21-17(13-6-8-14(9-7-13)18(23)24)26-19(15)25-11-12-4-2-1-3-5-12/h1-9,17H,11H2,(H,21,22)(H,23,24)