2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(3,4-dimethoxyphenyl)ethanone Formula: C17H14ClNO3S2 MolecularWeight: 379.88096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)OC

InChI

InChI=1S/C17H14ClNO3S2/c1-21-14-5-3-10(7-15(14)22-2)13(20)9-23-17-19-12-8-11(18)4-6-16(12)24-17/h3-8H,9H2,1-2H3