2-[3-oxidanylidene-4-(2-thiophen-2-ylethanoylamino)azetidin-2-yl]-2-(4-phenylmethoxycarbonyloxyphenyl)ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-4-(2-thiophen-2-ylethanoylamino)azetidin-2-yl]-2-(4-phenylmethoxycarbonyloxyphenyl)ethanoic acid Openeye Name: 2-(4-benzyloxycarbonyloxyphenyl)-2-[3-oxo-4-[[2-(2-thienyl)acetyl]amino]azetidin-2-yl]acetic acid CAS Name: 2-[3-oxo-4-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-azetidinyl]-2-(4-phenylmethoxycarbonyloxyphenyl)acetic acid IUPAC Name: 2-[3-oxo-4-[(2-thiophen-2-ylacetyl)amino]azetidin-2-yl]-2-(4-phenylmethoxycarbonyloxyphenyl)acetic acid Traditional Name: 2-(4-carbobenzoxyoxyphenyl)-2-[3-keto-4-[[2-(2-thienyl)acetyl]amino]azetidin-2-yl]acetic acid Formula: C25H22N2O7S MolecularWeight: 494.51638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)C(C3C(=O)C(N3)NC(=O)CC4=CC=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)C(C3C(=O)C(N3)NC(=O)CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C25H22N2O7S/c28-19(13-18-7-4-12-35-18)26-23-22(29)21(27-23)20(24(30)31)16-8-10-17(11-9-16)34-25(32)33-14-15-5-2-1-3-6-15/h1-12,20-21,23,27H,13-14H2,(H,26,28)(H,30,31)