[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2

InChI

InChI=1S/C20H20N2O4S/c1-12(2)20(3,11-21)22-17(23)10-26-19(24)16-8-13-9-25-15-7-5-4-6-14(15)18(13)27-16/h4-8,12H,9-10H2,1-3H3,(H,22,23)