(4-nitrophenyl)methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C30H26N4O6S3 MolecularWeight: 634.74564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C30H26N4O6S3/c1-18(2)26(29(37)40-17-20-12-14-21(15-13-20)34(38)39)33-27(36)25(32-24(35)16-19-8-4-3-5-9-19)28(33)42-43-30-31-22-10-6-7-11-23(22)41-30/h3-15,25-26,28H,1,16-17H2,2H3,(H,32,35)