(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H15ClN2O7S MolecularWeight: 462.8603

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O7S/c21-17-14-3-1-2-4-15(14)31-19(17)20(25)22-7-16(24)29-9-12-6-13(23(26)27)5-11-8-28-10-30-18(11)12/h1-6H,7-10H2,(H,22,25)