N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H18N4O5S/c25-18(21-10-9-19-22-14-4-1-2-5-17(14)30-19)6-3-11-23-15-8-7-13(24(27)28)12-16(15)29-20(23)26/h1-2,4-5,7-8,12H,3,6,9-11H2,(H,21,25)