(7-chloranyl-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C17H14ClNO3S MolecularWeight: 347.81596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H14ClNO3S/c18-12-8-11(9-14-16(12)22-10-21-14)17(20)19-6-3-7-23-15-5-2-1-4-13(15)19/h1-2,4-5,8-9H,3,6-7,10H2