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

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H19N3O4S/c1-12-3-2-4-17-19(12)22-21(29-17)23-20(26)13-9-18(25)24(11-13)14-5-6-15-16(10-14)28-8-7-27-15/h2-6,10,13H,7-9,11H2,1H3,(H,22,23,26)/t13-/m0/s1