methyl 5-methyl-2-(2-pyridin-2-ylethylamino)sulfanyl-benzoate

Systemtic Name: methyl 5-methyl-2-(2-pyridin-2-ylethylamino)sulfanyl-benzoate Openeye Name: methyl 5-methyl-2-[2-(2-pyridyl)ethylamino]sulfanyl-benzoate CAS Name: 5-methyl-2-[[2-(2-pyridinyl)ethylamino]thio]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(2-pyridin-2-ylethylamino)sulfanylbenzoate Traditional Name: 5-methyl-2-[[2-(2-pyridyl)ethylamino]thio]benzoic acid methyl ester Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SNCCC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)SNCCC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C16H18N2O2S/c1-12-6-7-15(14(11-12)16(19)20-2)21-18-10-8-13-5-3-4-9-17-13/h3-7,9,11,18H,8,10H2,1-2H3