5-[(4-tert-butylphenyl)methyl]-7-chloranyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methyl]-7-chloranyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[(4-tert-butylphenyl)methyl]-7-chloro-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[(4-tert-butylphenyl)methyl]-7-chloro-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[(4-tert-butylphenyl)methyl]-7-chloro-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(4-tert-butylbenzyl)-7-chloro-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C20H22ClNOS MolecularWeight: 359.91278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=O)CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNOS/c1-20(2,3)15-6-4-14(5-7-15)13-22-17-12-16(21)8-9-18(17)24-11-10-19(22)23/h4-9,12H,10-11,13H2,1-3H3