[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)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-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5OC4

InChI

InChI=1S/C25H21N3O4S/c1-15-23(16(2)28(27-15)18-8-4-3-5-9-18)26-22(29)14-32-25(30)21-12-17-13-31-20-11-7-6-10-19(20)24(17)33-21/h3-12H,13-14H2,1-2H3,(H,26,29)