(E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-(thiomorpholinomethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2[N+](=O)[O-])CN3CCSCC3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-])CN3CCSCC3

InChI

InChI=1S/C21H22N2O4S/c1-27-21-9-7-16(14-17(21)15-22-10-12-28-13-11-22)6-8-20(24)18-4-2-3-5-19(18)23(25)26/h2-9,14H,10-13,15H2,1H3/b8-6+