4-[4-[(E)-C-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-N-methoxy-carbonimidoyl]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[(E)-C-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-N-methoxy-carbonimidoyl]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[(E)-C-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-N-methoxy-carbonimidoyl]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[(E)-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-methoxyiminomethyl]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[(E)-C-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-N-methoxycarbonimidoyl]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[(E)-C-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]-N-methoxy-carbonimidoyl]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C28H29N3O5S2 MolecularWeight: 551.67696

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CC=C(C=C1)NC2=NCCCS2)C3=CC=C(C=C3)S(=O)(=O)CC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CO/N=C(\C1=CC=C(C=C1)NC2=NCCCS2)/C3=CC=C(C=C3)S(=O)(=O)CC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5S2/c1-36-31-27(21-8-12-24(13-9-21)30-28-29-16-5-17-37-28)22-10-14-25(15-11-22)38(34,35)19-23(18-26(32)33)20-6-3-2-4-7-20/h2-4,6-15,23H,5,16-19H2,1H3,(H,29,30)(H,32,33)/b31-27+