(E)-3-(5-tert-butyl-4-sulfamoyl-furan-2-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(5-tert-butyl-4-sulfamoyl-furan-2-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Openeye Name: (E)-2-(benzyloxycarbonylamino)-3-(5-tert-butyl-4-sulfamoyl-2-furyl)prop-2-enoic acid CAS Name: (E)-3-(5-tert-butyl-4-sulfamoyl-2-furanyl)-2-(phenylmethoxycarbonylamino)-2-propenoic acid IUPAC Name: (E)-3-(5-tert-butyl-4-sulfamoylfuran-2-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoic acid Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(5-tert-butyl-4-sulfamoyl-2-furyl)acrylic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(O1)C=C(C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C1=C(C=C(O1)/C=C(\C(=O)O)/NC(=O)OCC2=CC=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C19H22N2O7S/c1-19(2,3)16-15(29(20,25)26)10-13(28-16)9-14(17(22)23)21-18(24)27-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)(H2,20,25,26)/b14-9+