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

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-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-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)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-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC(=O)NC(C)C)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC(=O)NC(C)C)N3C=CC=C3)C

InChI

InChI=1S/C21H24N4O4S/c1-11(2)22-21(28)24-18(26)14(5)29-20(27)17-16(25-8-6-7-9-25)15-12(3)10-13(4)23-19(15)30-17/h6-11,14H,1-5H3,(H2,22,24,26,28)