3-methylbut-2-enyl 3-(prop-2-enylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: 3-methylbut-2-enyl 3-(prop-2-enylamino)-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: 3-methylbut-2-enyl 3-(allylamino)-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-(prop-2-enylamino)-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl 3-(prop-2-enylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-(allylamino)-2-(2-pyridyl)-3-thioxo-propionic acid 3-methylbut-2-enyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC(=O)C(C1=CC=CC=N1)C(=S)NCC=C)C

Isomeric SMILES

CC(=CCOC(=O)C(C1=CC=CC=N1)C(=S)NCC=C)C

InChI

InChI=1S/C16H20N2O2S/c1-4-9-18-15(21)14(13-7-5-6-10-17-13)16(19)20-11-8-12(2)3/h4-8,10,14H,1,9,11H2,2-3H3,(H,18,21)