ethyl 6-methyl-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methoxy]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[2-(3-pyrrolidin-1-ylsulfonylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-(3-pyrrolidinosulfonylbenzoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O7S2 MolecularWeight: 548.67148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H32N2O7S2/c1-4-34-26(31)22-20-11-10-16(2)14-21(20)36-24(22)27-23(29)17(3)35-25(30)18-8-7-9-19(15-18)37(32,33)28-12-5-6-13-28/h7-9,15-17H,4-6,10-14H2,1-3H3,(H,27,29)