ethyl 2-[(E)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]pent-4-ynoate

Systemtic Name: ethyl 2-[(E)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]pent-4-ynoate Openeye Name: ethyl 2-[(E)-C-methyl-N-(p-tolylsulfonylamino)carbonimidoyl]pent-4-ynoate CAS Name: 2-[(1E)-1-[(4-methylphenyl)sulfonylhydrazinylidene]ethyl]-4-pentynoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]pent-4-ynoate Traditional Name: 2-[(E)-C-methyl-N-(tosylamino)carbonimidoyl]pent-4-ynoic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#C)C(=NNS(=O)(=O)C1=CC=C(C=C1)C)C

Isomeric SMILES

CCOC(=O)C(CC#C)/C(=N/NS(=O)(=O)C1=CC=C(C=C1)C)/C

InChI

InChI=1S/C16H20N2O4S/c1-5-7-15(16(19)22-6-2)13(4)17-18-23(20,21)14-10-8-12(3)9-11-14/h1,8-11,15,18H,6-7H2,2-4H3/b17-13+