(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)prop-2-enamide

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-morpholino-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[2-morpholino-2-(2-thienyl)ethyl]acrylamide Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CS4

Isomeric SMILES

C1COCCN1C(CNC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CS4

InChI

InChI=1S/C20H21ClN2O4S/c21-15-10-14(11-17-20(15)27-13-26-17)3-4-19(24)22-12-16(18-2-1-9-28-18)23-5-7-25-8-6-23/h1-4,9-11,16H,5-8,12-13H2,(H,22,24)/b4-3+