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

Systemtic Name: 8-chloranyl-2-methyl-5-(2-oxidanylidenepropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-acetonyl-8-chloro-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-2-methyl-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-2-methyl-5-(2-oxopropyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-acetonyl-8-chloro-2-methyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C13H14ClNO2S MolecularWeight: 283.77376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=C(S1)C=C(C=C2)Cl)CC(=O)C

Isomeric SMILES

CC1CC(=O)N(C2=C(S1)C=C(C=C2)Cl)CC(=O)C

InChI

InChI=1S/C13H14ClNO2S/c1-8(16)7-15-11-4-3-10(14)6-12(11)18-9(2)5-13(15)17/h3-4,6,9H,5,7H2,1-2H3