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

Systemtic Name: ethyl 2-[(2-iodanylphenyl)carbonylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-iodobenzoyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-iodophenyl)-oxomethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-iodobenzoyl)amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-iodobenzoyl)amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20INO3S MolecularWeight: 469.33647

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C19H20INO3S/c1-3-24-19(23)16-15-11(2)7-6-10-14(15)25-18(16)21-17(22)12-8-4-5-9-13(12)20/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,21,22)