3,7,9-trimethyl-4H-1,4-benzothiazepin-5-one

Systemtic Name: 3,7,9-trimethyl-4H-1,4-benzothiazepin-5-one Openeye Name: 3,7,9-trimethyl-4H-1,4-benzothiazepin-5-one CAS Name: 3,7,9-trimethyl-4H-1,4-benzothiazepin-5-one IUPAC Name: 3,7,9-trimethyl-4H-1,4-benzothiazepin-5-one Traditional Name: 3,7,9-trimethyl-4H-1,4-benzothiazepin-5-one Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)NC(=CS2)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)NC(=CS2)C)C

InChI

InChI=1S/C12H13NOS/c1-7-4-8(2)11-10(5-7)12(14)13-9(3)6-15-11/h4-6H,1-3H3,(H,13,14)