2-(4-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanamide

Systemtic Name: 2-(4-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanamide Openeye Name: 2-(4-chloro-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanamide CAS Name: 2-(4-chloro-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanamide IUPAC Name: 2-(4-chloro-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanamide Traditional Name: 2-(4-chloro-5-keto-6H-benzo[b][1]benzothiepin-3-yl)propionamide Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C2=C(C=C1)SC3=CC=CC=C3CC2=O)Cl)C(=O)N

Isomeric SMILES

CC(C1=C(C2=C(C=C1)SC3=CC=CC=C3CC2=O)Cl)C(=O)N

InChI

InChI=1S/C17H14ClNO2S/c1-9(17(19)21)11-6-7-14-15(16(11)18)12(20)8-10-4-2-3-5-13(10)22-14/h2-7,9H,8H2,1H3,(H2,19,21)