2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate

Systemtic Name: 2-dimethylaminoethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Openeye Name: 2-dimethylaminoethyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-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=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)CCOC(=O)C1=CC2=C(C=C1)SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

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