3-butyl-3-ethyl-5-phenyl-2H-1,5-benzothiazepin-4-one

Systemtic Name: 3-butyl-3-ethyl-5-phenyl-2H-1,5-benzothiazepin-4-one Openeye Name: 3-butyl-3-ethyl-5-phenyl-2H-1,5-benzothiazepin-4-one CAS Name: 3-butyl-3-ethyl-5-phenyl-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-butyl-3-ethyl-5-phenyl-2H-1,5-benzothiazepin-4-one Traditional Name: 3-butyl-3-ethyl-5-phenyl-2H-1,5-benzothiazepin-4-one Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CSC2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CC

InChI

InChI=1S/C21H25NOS/c1-3-5-15-21(4-2)16-24-19-14-10-9-13-18(19)22(20(21)23)17-11-7-6-8-12-17/h6-14H,3-5,15-16H2,1-2H3