methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O5S/c1-26-19(23)17-14-7-2-3-8-15(14)27-18(17)20-16(22)10-9-12-5-4-6-13(11-12)21(24)25/h2-11H,1H3,(H,20,22)/b10-9+