(diphenylmethyl) (E)-4-bromanyl-3-morpholin-4-yl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4-sulfanyl-azetidin-1-yl]but-2-enoate

Systemtic Name: (diphenylmethyl) (E)-4-bromanyl-3-morpholin-4-yl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4-sulfanyl-azetidin-1-yl]but-2-enoate Openeye Name: benzhydryl (E)-4-bromo-3-morpholino-2-[2-oxo-3-[(2-phenylacetyl)amino]-4-sulfanyl-azetidin-1-yl]but-2-enoate CAS Name: (E)-4-bromo-2-[2-mercapto-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-(4-morpholinyl)-2-butenoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (E)-4-bromo-3-morpholin-4-yl-2-[2-oxo-3-[(2-phenylacetyl)amino]-4-sulfanylazetidin-1-yl]but-2-enoate Traditional Name: (E)-4-bromo-2-[2-keto-4-mercapto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-morpholino-but-2-enoic acid benzhydryl ester Formula: C32H32BrN3O5S MolecularWeight: 650.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)N4C(C(C4=O)NC(=O)CC5=CC=CC=C5)S)CBr

Isomeric SMILES

C1COCCN1/C(=C(\C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)/N4C(C(C4=O)NC(=O)CC5=CC=CC=C5)S)/CBr

InChI

InChI=1S/C32H32BrN3O5S/c33-21-25(35-16-18-40-19-17-35)28(32(39)41-29(23-12-6-2-7-13-23)24-14-8-3-9-15-24)36-30(38)27(31(36)42)34-26(37)20-22-10-4-1-5-11-22/h1-15,27,29,31,42H,16-21H2,(H,34,37)/b28-25+