4-[(2-chlorophenyl)methyl]-1,4-benzothiazepin-5-one

Systemtic Name: 4-[(2-chlorophenyl)methyl]-1,4-benzothiazepin-5-one Openeye Name: 4-[(2-chlorophenyl)methyl]-1,4-benzothiazepin-5-one CAS Name: 4-[(2-chlorophenyl)methyl]-1,4-benzothiazepin-5-one IUPAC Name: 4-[(2-chlorophenyl)methyl]-1,4-benzothiazepin-5-one Traditional Name: 4-(2-chlorobenzyl)-1,4-benzothiazepin-5-one Formula: C16H12ClNOS MolecularWeight: 301.79058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=CSC3=CC=CC=C3C2=O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=CSC3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C16H12ClNOS/c17-14-7-3-1-5-12(14)11-18-9-10-20-15-8-4-2-6-13(15)16(18)19/h1-10H,11H2