(3-chloranyl-1-benzothiophen-2-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O6S/c21-19-13-4-1-2-5-16(13)30-17(19)11-28-18(24)6-3-9-22-14-8-7-12(23(26)27)10-15(14)29-20(22)25/h1-2,4-5,7-8,10H,3,6,9,11H2