(2R)-2-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: (2R)-2-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: (2R)-2-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: (2R)-2-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: (2R)-2-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: (2R)-2-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-10-4-3-5-13(8-10)24-11(2)16(21)19-17-18-14-7-6-12(20(22)23)9-15(14)25-17/h3-9,11H,1-2H3,(H,18,19,21)/t11-/m1/s1