[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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 [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 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-2-(propargylamino)ethyl] ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NCC#C)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)OCC(=O)NCC#C)N3C=CC=C3)C

InChI

InChI=1S/C19H17N3O3S/c1-4-7-20-14(23)11-25-19(24)17-16(22-8-5-6-9-22)15-12(2)10-13(3)21-18(15)26-17/h1,5-6,8-10H,7,11H2,2-3H3,(H,20,23)