ethyl (E)-3-[4-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(5-nitrobenzothiophene-2-carbonyl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(5-nitro-1-benzothiophene-2-carbonyl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(5-nitrobenzothiophene-2-carbonyl)amino]phenyl]acrylic acid ethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-2-27-19(23)10-5-13-3-6-15(7-4-13)21-20(24)18-12-14-11-16(22(25)26)8-9-17(14)28-18/h3-12H,2H2,1H3,(H,21,24)/b10-5+