[(E)-[3-(cyanomethyl)-3H-thiophen-2-ylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[3-(cyanomethyl)-3H-thiophen-2-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[3-(cyanomethyl)-3H-thiophen-2-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[3-(cyanomethyl)-3H-thiophen-2-ylidene]amino] ester IUPAC Name: [(E)-[3-(cyanomethyl)-3H-thiophen-2-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[3-(cyanomethyl)-3H-thiophen-2-ylidene]amino] ester Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C(C=CS2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\C(C=CS2)CC#N

InChI

InChI=1S/C13H12N2O3S2/c1-10-2-4-12(5-3-10)20(16,17)18-15-13-11(6-8-14)7-9-19-13/h2-5,7,9,11H,6H2,1H3/b15-13+