N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-5-keto-1-phenethyl-pyrrolidine-3-carboxamide Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C22H23ClN2O2S/c23-17-6-7-20-18(13-17)19(9-11-28-20)24-22(27)16-12-21(26)25(14-16)10-8-15-4-2-1-3-5-15/h1-7,13,16,19H,8-12,14H2,(H,24,27)