methyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CN(C4=CC=CC=C4O3)S(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S2/c1-27-20(24)17-12-7-3-6-10-16(12)29-19(17)21-18(23)15-11-22(30(2,25)26)13-8-4-5-9-14(13)28-15/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3,(H,21,23)