(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(phenylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(2-phenylsulfanylethyl)prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(phenylthio)ethyl]acrylamide Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)NCCSC3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)NCCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16ClNO3S/c19-15-10-13(11-16-18(15)23-12-22-16)6-7-17(21)20-8-9-24-14-4-2-1-3-5-14/h1-7,10-11H,8-9,12H2,(H,20,21)/b7-6+