5-(3-chloranyl-2,2-dimethyl-propanoyl)-3,3-dimethyl-2H-1,5-benzothiazepin-4-one

Systemtic Name: 5-(3-chloranyl-2,2-dimethyl-propanoyl)-3,3-dimethyl-2H-1,5-benzothiazepin-4-one Openeye Name: 5-(3-chloro-2,2-dimethyl-propanoyl)-3,3-dimethyl-2H-1,5-benzothiazepin-4-one CAS Name: 5-(3-chloro-2,2-dimethyl-1-oxopropyl)-3,3-dimethyl-2H-1,5-benzothiazepin-4-one IUPAC Name: 5-(3-chloro-2,2-dimethylpropanoyl)-3,3-dimethyl-2H-1,5-benzothiazepin-4-one Traditional Name: 5-(3-chloro-2,2-dimethyl-propanoyl)-3,3-dimethyl-2H-1,5-benzothiazepin-4-one Formula: C16H20ClNO2S MolecularWeight: 325.8535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2N(C1=O)C(=O)C(C)(C)CCl)C

Isomeric SMILES

CC1(CSC2=CC=CC=C2N(C1=O)C(=O)C(C)(C)CCl)C

InChI

InChI=1S/C16H20ClNO2S/c1-15(2,9-17)13(19)18-11-7-5-6-8-12(11)21-10-16(3,4)14(18)20/h5-8H,9-10H2,1-4H3