methyl 2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(2-thienylsulfonyl)prolyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C19H18N2O5S3 MolecularWeight: 450.55162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H18N2O5S3/c1-26-19(23)16-12-6-2-3-8-14(12)28-18(16)20-17(22)13-7-4-10-21(13)29(24,25)15-9-5-11-27-15/h2-3,5-6,8-9,11,13H,4,7,10H2,1H3,(H,20,22)