2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C18H15ClN2O2S/c19-14-5-6-16-15(9-14)20-18(23-16)24-11-17(22)21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2