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

Systemtic Name: propan-2-yl 2-[(2-chloranyl-5-methylsulfonyl-phenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(2-chloro-5-methylsulfonyl-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-methylsulfonylphenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-chloro-5-methylsulfonylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-mesyl-benzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H24ClNO5S2 MolecularWeight: 470.00196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H24ClNO5S2/c1-11(2)28-21(25)18-14-7-5-12(3)9-17(14)29-20(18)23-19(24)15-10-13(30(4,26)27)6-8-16(15)22/h6,8,10-12H,5,7,9H2,1-4H3,(H,23,24)