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

Systemtic Name: 1-cyclopropylethyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: 1-cyclopropylethyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid 1-cyclopropylethyl ester IUPAC Name: 1-cyclopropylethyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid 1-cyclopropylethyl ester Formula: C28H29N3O5S3 MolecularWeight: 583.74196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)OC(=O)C(C(=C)C)N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C1CC1)OC(=O)C(C(=C)C)N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O5S3/c1-16(2)24(27(34)36-17(3)18-13-14-18)31-25(33)23(30-22(32)15-35-19-9-5-4-6-10-19)26(31)38-39-28-29-20-11-7-8-12-21(20)37-28/h4-12,17-18,23-24,26H,1,13-15H2,2-3H3,(H,30,32)