methyl 2-[(3-chloranyl-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(3-chloranyl-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]ethanoate Openeye Name: methyl 2-(3-chloro-6-nitro-2-phenyl-benzothiophen-4-yl)sulfanylacetate CAS Name: 2-[(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-6-nitro-2-phenyl-1-benzothiophen-4-yl)sulfanyl]acetate Traditional Name: 2-[(3-chloro-6-nitro-2-phenyl-benzothiophen-4-yl)thio]acetic acid methyl ester Formula: C17H12ClNO4S2 MolecularWeight: 393.86448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC2=C1C(=C(S2)C3=CC=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=CC2=C1C(=C(S2)C3=CC=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClNO4S2/c1-23-14(20)9-24-12-7-11(19(21)22)8-13-15(12)16(18)17(25-13)10-5-3-2-4-6-10/h2-8H,9H2,1H3