tert-butyl 2-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: tert-butyl 2-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: tert-butyl 2-[3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-2-(3-ethoxy-3-oxo-propyl)sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-[(3-ethoxy-3-oxopropyl)thio]-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-ethoxy-3-oxopropyl)sulfanyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[3-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-2-[(3-ethoxy-3-keto-propyl)thio]-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid tert-butyl ester Formula: C30H43N3O8S MolecularWeight: 605.74272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)OC(C)(C)C)NC(=O)C(C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)OC(C)(C)C)NC(=O)C(C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H43N3O8S/c1-10-39-20(34)16-17-42-26-22(25(36)33(26)23(18(2)3)27(37)40-29(4,5)6)31-24(35)21(19-14-12-11-13-15-19)32-28(38)41-30(7,8)9/h11-15,21-22,26H,10,16-17H2,1-9H3,(H,31,35)(H,32,38)