methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(propylaminosulfanyl)azetidin-1-yl]but-3-enoate

Systemtic Name: methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenoxyethanoylamino)-4-(propylaminosulfanyl)azetidin-1-yl]but-3-enoate Openeye Name: methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(propylaminosulfanyl)azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-4-(propylaminothio)-1-azetidinyl]-3-butenoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[2-oxo-3-[(2-phenoxyacetyl)amino]-4-(propylaminosulfanyl)azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(propylaminothio)azetidin-1-yl]-3-methyl-but-3-enoic acid methyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCNSC1C(C(=O)N1C(C(=C)C)C(=O)OC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCCNSC1C(C(=O)N1C(C(=C)C)C(=O)OC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-5-11-21-29-19-16(18(25)23(19)17(13(2)3)20(26)27-4)22-15(24)12-28-14-9-7-6-8-10-14/h6-10,16-17,19,21H,2,5,11-12H2,1,3-4H3,(H,22,24)