ethyl 2-[(6-chloranyl-4-phenyl-4H-3,1-benzothiazin-2-yl)sulfanyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-[(6-chloranyl-4-phenyl-4H-3,1-benzothiazin-2-yl)sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[(6-chloro-4-phenyl-4H-3,1-benzothiazin-2-yl)sulfanyl]-2-methyl-propanoate CAS Name: 2-[(6-chloro-4-phenyl-4H-3,1-benzothiazin-2-yl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloro-4-phenyl-4H-3,1-benzothiazin-2-yl)sulfanyl]-2-methylpropanoate Traditional Name: 2-[(6-chloro-4-phenyl-4H-3,1-benzothiazin-2-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C20H20ClNO2S2 MolecularWeight: 405.9613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC2=C(C=C(C=C2)Cl)C(S1)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC2=C(C=C(C=C2)Cl)C(S1)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO2S2/c1-4-24-18(23)20(2,3)26-19-22-16-11-10-14(21)12-15(16)17(25-19)13-8-6-5-7-9-13/h5-12,17H,4H2,1-3H3