methyl (2S)-2-[ethynyl-(4-methylphenyl)sulfonyl-amino]pent-4-enoate

Systemtic Name: methyl (2S)-2-[ethynyl-(4-methylphenyl)sulfonyl-amino]pent-4-enoate Openeye Name: methyl (2S)-2-[ethynyl(p-tolylsulfonyl)amino]pent-4-enoate CAS Name: (2S)-2-[ethynyl-(4-methylphenyl)sulfonylamino]-4-pentenoic acid methyl ester IUPAC Name: methyl (2S)-2-[ethynyl-(4-methylphenyl)sulfonylamino]pent-4-enoate Traditional Name: (2S)-2-[ethynyl(tosyl)amino]pent-4-enoic acid methyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C#C)C(CC=C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C#C)[C@@H](CC=C)C(=O)OC

InChI

InChI=1S/C15H17NO4S/c1-5-7-14(15(17)20-4)16(6-2)21(18,19)13-10-8-12(3)9-11-13/h2,5,8-11,14H,1,7H2,3-4H3/t14-/m0/s1