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

Systemtic Name: methyl 2-[2-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(E)-2-cyano-3-phenyl-prop-2-enoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(E)-2-cyano-1-oxo-3-phenylprop-2-enoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-2-cyano-3-phenylprop-2-enoyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(E)-2-cyano-3-phenyl-acryloyl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)COC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H22N2O5S/c1-14-8-9-17-18(10-14)31-21(20(17)23(28)29-2)25-19(26)13-30-22(27)16(12-24)11-15-6-4-3-5-7-15/h3-7,11,14H,8-10,13H2,1-2H3,(H,25,26)/b16-11+