[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N2O5S2/c1-13-18(15-7-3-4-8-16(15)22-13)19(24)14(2)28-21(25)20-17(9-12-29-20)30(26,27)23-10-5-6-11-23/h3-4,7-9,12,14,22H,5-6,10-11H2,1-2H3