methyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-morpholinosulfonylphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-morpholinosulfonylphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H26N2O6S2/c1-30-23(27)21-18-4-2-3-5-19(18)32-22(21)24-20(26)11-8-16-6-9-17(10-7-16)33(28,29)25-12-14-31-15-13-25/h6-11H,2-5,12-15H2,1H3,(H,24,26)