N-[(2S)-1-oxidanylidene-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(thiazol-2-ylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(2S)-1-oxo-3-phenyl-1-(2-thiazolylamino)propan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(2S)-1-oxo-3-phenyl-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(thiazol-2-ylamino)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC3=CC=CC=C3)C(=O)NC4=NC=CS4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H19N3O4S/c25-19(24-21-22-10-11-29-21)15(12-14-6-2-1-3-7-14)23-20(26)18-13-27-16-8-4-5-9-17(16)28-18/h1-11,15,18H,12-13H2,(H,23,26)(H,22,24,25)/t15-,18?/m0/s1