[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N2O5S2/c1-2-14-6-5-7-15-16(12-22-19(14)15)17(24)13-28-21(25)20-18(8-11-29-20)30(26,27)23-9-3-4-10-23/h5-8,11-12,22H,2-4,9-10,13H2,1H3