[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H21ClN2O4S/c21-18-9-8-17(28-18)16(24)7-10-20(26)27-13-19(25)22-14-3-5-15(6-4-14)23-11-1-2-12-23/h3-6,8-9H,1-2,7,10-13H2,(H,22,25)