(E)-3-[4-ethoxy-3-methoxy-2-(2-sulfanylethylamino)phenyl]prop-2-enamide hydrochloride

Systemtic Name: (E)-3-[4-ethoxy-3-methoxy-2-(2-sulfanylethylamino)phenyl]prop-2-enamide hydrochloride Openeye Name: (E)-3-[4-ethoxy-3-methoxy-2-(2-sulfanylethylamino)phenyl]prop-2-enamide hydrochloride CAS Name: (E)-3-[4-ethoxy-2-(2-mercaptoethylamino)-3-methoxyphenyl]-2-propenamide hydrochloride IUPAC Name: (E)-3-[4-ethoxy-3-methoxy-2-(2-sulfanylethylamino)phenyl]prop-2-enamide hydrochloride Traditional Name: (E)-3-[4-ethoxy-2-(2-mercaptoethylamino)-3-methoxy-phenyl]acrylamide hydrochloride Formula: C14H21ClN2O3S MolecularWeight: 332.84614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)C=CC(=O)N)NCCS)OC.Cl

Isomeric SMILES

CCOC1=C(C(=C(C=C1)/C=C/C(=O)N)NCCS)OC.Cl

InChI

InChI=1S/C14H20N2O3S.ClH/c1-3-19-11-6-4-10(5-7-12(15)17)13(14(11)18-2)16-8-9-20;/h4-7,16,20H,3,8-9H2,1-2H3,(H2,15,17);1H/b7-5+;