ethyl 2-[2-(4-bromophenyl)carbonyloxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)carbonyloxyethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromobenzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)-oxomethoxy]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromobenzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromobenzoyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22BrNO5S MolecularWeight: 480.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO5S/c1-3-27-21(26)18-15-9-4-12(2)10-16(15)29-19(18)23-17(24)11-28-20(25)13-5-7-14(22)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3,(H,23,24)