N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[4-methyl-5-(2-pyridinyl)-2-thiazolyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[4-methyl-5-(2-pyridyl)thiazol-2-yl]butyramide Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=CC=N4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C4=CC=CC=N4

InChI

InChI=1S/C20H17N5O5S/c1-12-18(14-5-2-3-9-21-14)31-19(22-12)23-17(26)6-4-10-24-15-8-7-13(25(28)29)11-16(15)30-20(24)27/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,22,23,26)