ethyl 3-acetyloxy-2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate

Systemtic Name: ethyl 3-acetyloxy-2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate Openeye Name: ethyl 3-acetoxy-3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-acetyloxy-3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-acetyloxy-3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-acetoxy-2-(benzyloxycarbonylamino)-3-(1-besylpyrrol-3-yl)propionic acid ethyl ester Formula: C25H26N2O8S MolecularWeight: 514.54754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O8S/c1-3-33-24(29)22(26-25(30)34-17-19-10-6-4-7-11-19)23(35-18(2)28)20-14-15-27(16-20)36(31,32)21-12-8-5-9-13-21/h4-16,22-23H,3,17H2,1-2H3,(H,26,30)