S-(2-dimethylaminoethyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(2-dimethylaminoethyl) 4-nitrobenzenecarbothioate Openeye Name: S-(2-dimethylaminoethyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(2-dimethylaminoethyl) ester IUPAC Name: S-(2-dimethylaminoethyl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(2-dimethylaminoethyl) ester Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O3S/c1-12(2)7-8-17-11(14)9-3-5-10(6-4-9)13(15)16/h3-6H,7-8H2,1-2H3