(2S)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one

Systemtic Name: (2S)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Openeye Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: (2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-ethylphenyl)propan-1-one Formula: C18H16ClNOS2 MolecularWeight: 361.90874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C18H16ClNOS2/c1-3-12-4-6-13(7-5-12)17(21)11(2)22-18-20-15-10-14(19)8-9-16(15)23-18/h4-11H,3H2,1-2H3/t11-/m0/s1