8-methoxy-5-phenyl-spiro[4,5-dihydro-2H-1,4-benzothiazepine-3,1'-cyclohexane]

Systemtic Name: 8-methoxy-5-phenyl-spiro[4,5-dihydro-2H-1,4-benzothiazepine-3,1'-cyclohexane] Openeye Name: 8-methoxy-5-phenyl-spiro[4,5-dihydro-2H-1,4-benzothiazepine-3,1'-cyclohexane] CAS Name: 8-methoxy-5-phenylspiro[4,5-dihydro-2H-1,4-benzothiazepine-3,1'-cyclohexane] IUPAC Name: 8-methoxy-5-phenylspiro[4,5-dihydro-2H-1,4-benzothiazepine-3,1'-cyclohexane] Traditional Name: 8-methoxy-5-phenyl-spiro[4,5-dihydro-2H-1,4-benzothiazepine-3,1'-cyclohexane] Formula: C21H25NOS MolecularWeight: 339.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(NC3(CCCCC3)CS2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(NC3(CCCCC3)CS2)C4=CC=CC=C4

InChI

InChI=1S/C21H25NOS/c1-23-17-10-11-18-19(14-17)24-15-21(12-6-3-7-13-21)22-20(18)16-8-4-2-5-9-16/h2,4-5,8-11,14,20,22H,3,6-7,12-13,15H2,1H3