2-(2-dimethylaminoethyl)-4-methoxy-benzenecarbothioic S-acid

Systemtic Name: 2-(2-dimethylaminoethyl)-4-methoxy-benzenecarbothioic S-acid Openeye Name: 2-(2-dimethylaminoethyl)-4-methoxy-benzenecarbothioic S-acid CAS Name: 2-(2-dimethylaminoethyl)-4-methoxybenzenecarbothioic S-acid IUPAC Name: 2-(2-dimethylaminoethyl)-4-methoxybenzenecarbothioic S-acid Traditional Name: 2-(2-dimethylaminoethyl)-4-methoxy-thiobenzoic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C(C=CC(=C1)OC)C(=O)S

Isomeric SMILES

CN(C)CCC1=C(C=CC(=C1)OC)C(=O)S

InChI

InChI=1S/C12H17NO2S/c1-13(2)7-6-9-8-10(15-3)4-5-11(9)12(14)16/h4-5,8H,6-7H2,1-3H3,(H,14,16)