methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-mesylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C19H21NO5S2/c1-25-19(22)16-14-9-4-3-5-10-15(14)26-18(16)20-17(21)12-7-6-8-13(11-12)27(2,23)24/h6-8,11H,3-5,9-10H2,1-2H3,(H,20,21)