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

Systemtic Name: 7-chloranyl-5-[(3-methylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 7-chloro-5-(m-tolylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 7-chloro-5-[(3-methylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 7-chloro-5-[(3-methylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 7-chloro-5-(3-methylbenzyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C17H16ClNOS MolecularWeight: 317.83304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C17H16ClNOS/c1-12-3-2-4-13(9-12)11-19-15-10-14(18)5-6-16(15)21-8-7-17(19)20/h2-6,9-10H,7-8,11H2,1H3