O-methyl (Z)-3-(butylamino)-3-pyridin-4-yl-prop-2-enethioate

Systemtic Name: O-methyl (Z)-3-(butylamino)-3-pyridin-4-yl-prop-2-enethioate Openeye Name: O-methyl (Z)-3-(butylamino)-3-(4-pyridyl)prop-2-enethioate CAS Name: (Z)-3-(butylamino)-3-pyridin-4-yl-2-propenethioic acid O-methyl ester IUPAC Name: O-methyl (Z)-3-(butylamino)-3-pyridin-4-ylprop-2-enethioate Traditional Name: (Z)-3-(butylamino)-3-(4-pyridyl)prop-2-enethioic acid O-methyl ester Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=CC(=S)OC)C1=CC=NC=C1

Isomeric SMILES

CCCCN/C(=C\C(=S)OC)/C1=CC=NC=C1

InChI

InChI=1S/C13H18N2OS/c1-3-4-7-15-12(10-13(17)16-2)11-5-8-14-9-6-11/h5-6,8-10,15H,3-4,7H2,1-2H3/b12-10-