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

Systemtic Name: (phenylmethyl) 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C30H27N3O4S3 MolecularWeight: 589.74808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C30H27N3O4S3/c1-19(2)26(29(36)37-18-21-13-7-4-8-14-21)33-27(35)25(32-24(34)17-20-11-5-3-6-12-20)28(33)39-40-30-31-22-15-9-10-16-23(22)38-30/h3-16,25-26,28H,1,17-18H2,2H3,(H,32,34)