4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid

Systemtic Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid Openeye Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid CAS Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid IUPAC Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid Traditional Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CN=C(SC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1CN=C(SC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H25NO2S/c1-2-3-4-5-6-7-14-12-19-17(22-13-14)15-8-10-16(11-9-15)18(20)21/h8-11,14H,2-7,12-13H2,1H3,(H,20,21)