8-chloranyl-5-(2-oxidanylidenepropyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 8-chloranyl-5-(2-oxidanylidenepropyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-acetonyl-8-chloro-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-5-(2-oxopropyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-5-(2-oxopropyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-acetonyl-8-chloro-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)CC(SC2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C(=O)CC(SC2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClNO2S/c1-12(21)11-20-15-8-7-14(19)9-17(15)23-16(10-18(20)22)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3