3,7-dimethyloctyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 3,7-dimethyloctyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 3,7-dimethyloctyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 3,7-dimethyloctyl ester hydrochloride IUPAC Name: 3,7-dimethyloctyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid 3,7-dimethyloctyl ester hydrochloride Formula: C18H29ClN2O2S MolecularWeight: 372.95306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOC(=O)C(C1=CC=CC=N1)C(=S)N.Cl

Isomeric SMILES

CC(C)CCCC(C)CCOC(=O)C(C1=CC=CC=N1)C(=S)N.Cl

InChI

InChI=1S/C18H28N2O2S.ClH/c1-13(2)7-6-8-14(3)10-12-22-18(21)16(17(19)23)15-9-4-5-11-20-15;/h4-5,9,11,13-14,16H,6-8,10,12H2,1-3H3,(H2,19,23);1H