1-cyclohexylethyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

Systemtic Name: 1-cyclohexylethyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride Openeye Name: 1-cyclohexylethyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate hydrochloride CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 1-cyclohexylethyl ester hydrochloride IUPAC Name: 1-cyclohexylethyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate hydrochloride Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid 1-cyclohexylethyl ester hydrochloride Formula: C16H23ClN2O2S MolecularWeight: 342.88402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)OC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

CC(C1CCCCC1)OC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C16H22N2O2S.ClH/c1-11(12-7-3-2-4-8-12)20-16(19)14(15(17)21)13-9-5-6-10-18-13;/h5-6,9-12,14H,2-4,7-8H2,1H3,(H2,17,21);1H