4-(7-tert-butyl-3-cyano-5,6,7,8-tetrahydro-4H-1,4-benzothiazin-2-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(7-tert-butyl-3-cyano-5,6,7,8-tetrahydro-4H-1,4-benzothiazin-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(7-tert-butyl-3-cyano-5,6,7,8-tetrahydro-4H-1,4-benzothiazin-2-yl)-4-oxo-butanoic acid CAS Name: 4-(7-tert-butyl-3-cyano-5,6,7,8-tetrahydro-4H-1,4-benzothiazin-2-yl)-4-oxobutanoic acid IUPAC Name: 4-(7-tert-butyl-3-cyano-5,6,7,8-tetrahydro-4H-1,4-benzothiazin-2-yl)-4-oxobutanoic acid Traditional Name: 4-(7-tert-butyl-3-cyano-5,6,7,8-tetrahydro-4H-1,4-benzothiazin-2-yl)-4-keto-butyric acid Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C(N2)C#N)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C(N2)C#N)C(=O)CCC(=O)O

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)10-4-5-11-14(8-10)23-16(12(9-18)19-11)13(20)6-7-15(21)22/h10,19H,4-8H2,1-3H3,(H,21,22)