1-cyclohexylbutyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: 1-cyclohexylbutyl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 1-cyclohexylbutyl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 1-cyclohexylbutyl ester IUPAC Name: 1-cyclohexylbutyl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid 1-cyclohexylbutyl ester Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O2S/c1-2-8-15(13-9-4-3-5-10-13)22-18(21)16(17(19)23)14-11-6-7-12-20-14/h6-7,11-13,15-16H,2-5,8-10H2,1H3,(H2,19,23)