[(E)-[2-[cyano-(2-methylphenyl)methyl]-2H-thiophen-5-ylidene]amino] propane-1-sulfonate

Systemtic Name: [(E)-[2-[cyano-(2-methylphenyl)methyl]-2H-thiophen-5-ylidene]amino] propane-1-sulfonate Openeye Name: [(E)-[2-[cyano(o-tolyl)methyl]-2H-thiophen-5-ylidene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(E)-[2-[cyano-(2-methylphenyl)methyl]-2H-thiophen-5-ylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(E)-[2-[cyano(o-tolyl)methyl]-2H-thiophen-5-ylidene]amino] ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C1C=CC(S1)C(C#N)C2=CC=CC=C2C

Isomeric SMILES

CCCS(=O)(=O)O/N=C/1\C=CC(S1)C(C#N)C2=CC=CC=C2C

InChI

InChI=1S/C16H18N2O3S2/c1-3-10-23(19,20)21-18-16-9-8-15(22-16)14(11-17)13-7-5-4-6-12(13)2/h4-9,14-15H,3,10H2,1-2H3/b18-16+