ethyl 2-[(2-but-2-enoyloxy-2-phenyl-ethanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-but-2-enoyloxy-2-phenyl-ethanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-but-2-enoyloxy-2-phenyl-acetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(1-oxobut-2-enoxy)-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-but-2-enoyloxy-2-phenylacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-but-2-enoyloxy-2-phenyl-acetyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C=CC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)OC(=O)C=CC

InChI

InChI=1S/C24H27NO5S/c1-4-9-19(26)30-21(16-10-7-6-8-11-16)22(27)25-23-20(24(28)29-5-2)17-13-12-15(3)14-18(17)31-23/h4,6-11,15,21H,5,12-14H2,1-3H3,(H,25,27)