5-(1,3-benzothiazol-2-yl)-7-chloranyl-1,5-dihydro-4,1-benzothiazepin-2-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-7-chloranyl-1,5-dihydro-4,1-benzothiazepin-2-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-7-chloro-1,5-dihydro-4,1-benzothiazepin-2-one CAS Name: 5-(1,3-benzothiazol-2-yl)-7-chloro-1,5-dihydro-4,1-benzothiazepin-2-one IUPAC Name: 5-(1,3-benzothiazol-2-yl)-7-chloro-1,5-dihydro-4,1-benzothiazepin-2-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-7-chloro-1,5-dihydro-4,1-benzothiazepin-2-one Formula: C16H11ClN2OS2 MolecularWeight: 346.85434

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Cl)C(S1)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(S1)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C16H11ClN2OS2/c17-9-5-6-11-10(7-9)15(21-8-14(20)18-11)16-19-12-3-1-2-4-13(12)22-16/h1-7,15H,8H2,(H,18,20)