cycloheptylmethyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate hydrochloride

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

Isomeric SMILES

C1CCCC(CC1)COC(=O)C(C2=CC=CC=N2)C(=S)N.Cl

InChI

InChI=1S/C16H22N2O2S.ClH/c17-15(21)14(13-9-5-6-10-18-13)16(19)20-11-12-7-3-1-2-4-8-12;/h5-6,9-10,12,14H,1-4,7-8,11H2,(H2,17,21);1H