2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate

Systemtic Name: 2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate Openeye Name: 2-dimethylaminoethyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylic acid 2-dimethylaminoethyl ester Formula: C31H27N5O4S MolecularWeight: 565.64218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)CCOC(=O)C1=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27N5O4S/c1-35(2)16-17-40-31(39)23-15-9-14-22-27-25(19-41-29(22)23)26(34-36(27)21-12-7-4-8-13-21)28(37)24(18-32)30(38)33-20-10-5-3-6-11-20/h3-15,24H,16-17,19H2,1-2H3,(H,33,38)