methyl 6-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[1-(2-thienylsulfonyl)prolyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H24N2O5S3 MolecularWeight: 468.60996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N2O5S3/c1-12-7-8-13-15(11-12)29-19(17(13)20(24)27-2)21-18(23)14-5-3-9-22(14)30(25,26)16-6-4-10-28-16/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3,(H,21,23)