ethyl 4-[(4-methylphenyl)sulfonyl-penta-2,3-dienyl-amino]but-2-ynoate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-penta-2,3-dienyl-amino]but-2-ynoate Openeye Name: ethyl 4-[penta-2,3-dienyl(p-tolylsulfonyl)amino]but-2-ynoate CAS Name: 4-[(4-methylphenyl)sulfonyl-penta-2,3-dienylamino]-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-penta-2,3-dienylamino]but-2-ynoate Traditional Name: 4-[penta-2,3-dienyl(tosyl)amino]but-2-ynoic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CCN(CC=C=CC)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C#CCN(CC=C=CC)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H21NO4S/c1-4-6-7-14-19(15-8-9-18(20)23-5-2)24(21,22)17-12-10-16(3)11-13-17/h4,7,10-13H,5,14-15H2,1-3H3