(E)-4-[3-(ethylamino)-3-(4-methoxyphenyl)propyl]sulfonyloxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-(ethylamino)-3-(4-methoxyphenyl)propyl]sulfonyloxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(ethylamino)-3-(4-methoxyphenyl)propyl]sulfonyloxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(ethylamino)-3-(4-methoxyphenyl)propyl]sulfonyloxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(ethylamino)-3-(4-methoxyphenyl)propyl]sulfonyloxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-(ethylamino)-3-(4-methoxyphenyl)propyl]sulfonyloxy-4-keto-but-2-enoic acid Formula: C16H21NO7S MolecularWeight: 371.40544

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CCS(=O)(=O)OC(=O)C=CC(=O)O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCNC(CCS(=O)(=O)OC(=O)/C=C/C(=O)O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C16H21NO7S/c1-3-17-14(12-4-6-13(23-2)7-5-12)10-11-25(21,22)24-16(20)9-8-15(18)19/h4-9,14,17H,3,10-11H2,1-2H3,(H,18,19)/b9-8+