(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(3-pyridyl)thiazol-2-yl]pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(3-pyridinyl)-2-thiazolyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(3-pyridyl)thiazol-2-yl]pyrrolidine-3-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C21H18N4O4S/c26-19-8-14(11-25(19)15-3-4-17-18(9-15)29-7-6-28-17)20(27)24-21-23-16(12-30-21)13-2-1-5-22-10-13/h1-5,9-10,12,14H,6-8,11H2,(H,23,24,27)/t14-/m0/s1