ethyl 6-methyl-2-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(E)-3-(3-nitrophenyl)acryloyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7S/c1-3-31-23(28)21-17-9-7-14(2)11-18(17)33-22(21)24-19(26)13-32-20(27)10-8-15-5-4-6-16(12-15)25(29)30/h4-6,8,10,12,14H,3,7,9,11,13H2,1-2H3,(H,24,26)/b10-8+