methyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-methoxy-5-pyrrolidinosulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H26N2O6S2/c1-29-17-10-9-14(32(27,28)24-11-5-6-12-24)13-16(17)20(25)23-21-19(22(26)30-2)15-7-3-4-8-18(15)31-21/h9-10,13H,3-8,11-12H2,1-2H3,(H,23,25)