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

Systemtic Name: tert-butyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C27H29N3O4S3 MolecularWeight: 555.73186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H29N3O4S3/c1-16(2)22(25(33)34-27(3,4)5)30-23(32)21(29-20(31)15-17-11-7-6-8-12-17)24(30)36-37-26-28-18-13-9-10-14-19(18)35-26/h6-14,21-22,24H,1,15H2,2-5H3,(H,29,31)