(3S)-1-cyclopropyl-5-oxidanylidene-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-cyclopropyl-5-oxidanylidene-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-cyclopropyl-5-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide CAS Name: (3S)-1-cyclopropyl-5-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-cyclopropyl-5-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Traditional Name: (3S)-1-cyclopropyl-5-keto-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C[C@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C21H19N3O3S/c25-19-10-13(12-24(19)14-6-7-14)20(26)23-21-22-17-9-8-16(11-18(17)28-21)27-15-4-2-1-3-5-15/h1-5,8-9,11,13-14H,6-7,10,12H2,(H,22,23,26)/t13-/m0/s1