[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O3S2/c1-11(2)22-16(7-8-20-22)21-17(23)10-25-19(24)15-9-14-18(27-15)12-5-3-4-6-13(12)26-14/h3-9,11H,10H2,1-2H3,(H,21,23)