2-(3,4-dimethylphenyl)-5H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(3,4-dimethylphenyl)-5H-1,5-benzothiazepin-4-one Openeye Name: 2-(3,4-dimethylphenyl)-5H-1,5-benzothiazepin-4-one CAS Name: 2-(3,4-dimethylphenyl)-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-(3,4-dimethylphenyl)-5H-1,5-benzothiazepin-4-one Traditional Name: 2-(3,4-dimethylphenyl)-5H-1,5-benzothiazepin-4-one Formula: C17H15NOS MolecularWeight: 281.3721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=O)NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=O)NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H15NOS/c1-11-7-8-13(9-12(11)2)16-10-17(19)18-14-5-3-4-6-15(14)20-16/h3-10H,1-2H3,(H,18,19)