N-[4-methyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[4-methyl-5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[4-methyl-5-(3-nitrobenzyl)thiazol-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2COC3=CC=CC=C3O2)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2COC3=CC=CC=C3O2)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-12-18(10-13-5-4-6-14(9-13)23(25)26)29-20(21-12)22-19(24)17-11-27-15-7-2-3-8-16(15)28-17/h2-9,17H,10-11H2,1H3,(H,21,22,24)