(phenylmethyl) 4-[[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-[[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-4-[[[(E)-4-ethoxy-4-oxo-but-2-enoyl]amino]sulfamoyl]butanoate CAS Name: 4-[[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[[[(E)-4-ethoxy-4-keto-but-2-enoyl]amino]sulfamoyl]butyric acid benzyl ester Formula: C25H29N3O9S MolecularWeight: 547.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NNS(=O)(=O)CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NNS(=O)(=O)CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H29N3O9S/c1-2-35-23(30)14-13-22(29)27-28-38(33,34)16-15-21(24(31)36-17-19-9-5-3-6-10-19)26-25(32)37-18-20-11-7-4-8-12-20/h3-14,21,28H,2,15-18H2,1H3,(H,26,32)(H,27,29)/b14-13+