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

Systemtic Name: 2-morpholin-4-ylethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Openeye Name: 2-morpholinoethyl 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-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 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-morpholinoethyl ester Formula: C33H29N5O5S MolecularWeight: 607.67886

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)C2=CC3=C(C=C2)SCC4=C3N(N=C4C(=O)C(C#N)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1CCOC(=O)C2=CC3=C(C=C2)SCC4=C3N(N=C4C(=O)C(C#N)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H29N5O5S/c34-20-26(32(40)35-23-7-3-1-4-8-23)31(39)29-27-21-44-28-12-11-22(33(41)43-18-15-37-13-16-42-17-14-37)19-25(28)30(27)38(36-29)24-9-5-2-6-10-24/h1-12,19,26H,13-18,21H2,(H,35,40)