N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(1R)-2-methyl-1-thiophen-2-yl-propyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]butyramide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C)[C@H](C1=CC=CS1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H21N3O5S/c1-12(2)18(16-5-4-10-28-16)20-17(23)6-3-9-21-14-8-7-13(22(25)26)11-15(14)27-19(21)24/h4-5,7-8,10-12,18H,3,6,9H2,1-2H3,(H,20,23)/t18-/m1/s1