[1-oxidanylidene-1-(propylamino)propan-2-yl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)N3C=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-5-8-21-18(24)14(4)26-20(25)17-16(23-9-6-7-10-23)15-12(2)11-13(3)22-19(15)27-17/h6-7,9-11,14H,5,8H2,1-4H3,(H,21,24)