2-(2-diethylaminoethyloxy)-4-methyl-benzenecarbothioic S-acid

Systemtic Name: 2-(2-diethylaminoethyloxy)-4-methyl-benzenecarbothioic S-acid Openeye Name: 2-(2-diethylaminoethyloxy)-4-methyl-benzenecarbothioic S-acid CAS Name: 2-(2-diethylaminoethyloxy)-4-methylbenzenecarbothioic S-acid IUPAC Name: 2-(2-diethylaminoethyloxy)-4-methylbenzenecarbothioic S-acid Traditional Name: 2-(2-diethylaminoethyloxy)-4-methyl-thiobenzoic acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=CC(=C1)C)C(=O)S

Isomeric SMILES

CCN(CC)CCOC1=C(C=CC(=C1)C)C(=O)S

InChI

InChI=1S/C14H21NO2S/c1-4-15(5-2)8-9-17-13-10-11(3)6-7-12(13)14(16)18/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)