methyl 5-[[(E)-2-cyanoethenyl]amino]-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-4-carboxylate

Systemtic Name: methyl 5-[[(E)-2-cyanoethenyl]amino]-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-4-carboxylate Openeye Name: methyl 5-[[(E)-2-cyanovinyl]amino]-1-(p-tolylsulfonyl)-2,3-dihydropyrrole-4-carboxylate CAS Name: 5-[[(E)-2-cyanoethenyl]amino]-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-2-cyanoethenyl]amino]-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole-4-carboxylate Traditional Name: 2-[[(E)-2-cyanovinyl]amino]-1-tosyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C2NC=CC#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C2N/C=C/C#N)C(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-12-4-6-13(7-5-12)24(21,22)19-11-8-14(16(20)23-2)15(19)18-10-3-9-17/h3-7,10,18H,8,11H2,1-2H3/b10-3+