(4-butoxyphenyl) 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoate

Systemtic Name: (4-butoxyphenyl) 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoate Openeye Name: (4-butoxyphenyl) 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoate CAS Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoate Traditional Name: 4-(5-heptyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzoic acid (4-butoxyphenyl) ester Formula: C28H37NO3S MolecularWeight: 467.66328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CN=C(SC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCCCC1CN=C(SC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C28H37NO3S/c1-3-5-7-8-9-10-22-20-29-27(33-21-22)23-11-13-24(14-12-23)28(30)32-26-17-15-25(16-18-26)31-19-6-4-2/h11-18,22H,3-10,19-21H2,1-2H3