ethyl 3-[(E)-1,2-bis(azanyl)-2-cyano-ethenyl]sulfanylpropanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 3-[(E)-1,2-bis(azanyl)-2-cyano-ethenyl]sulfanylpropanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 3-[(E)-1,2-diamino-2-cyano-vinyl]sulfanylpropanoate; 4-methylbenzenesulfonic acid CAS Name: 3-[[(E)-1,2-diamino-2-cyanoethenyl]thio]propanoic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 3-[(E)-1,2-diamino-2-cyanoethenyl]sulfanylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: 3-[[(E)-1,2-diamino-2-cyano-vinyl]thio]propionic acid ethyl ester; tosylic acid Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=C(C#N)N)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CCS/C(=C(\C#N)/N)/N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H13N3O2S.C7H8O3S/c1-2-13-7(12)3-4-14-8(11)6(10)5-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,10-11H2,1H3;2-5H,1H3,(H,8,9,10)/b8-6+;