(2S)-2-(2,4-dichlorophenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium

Systemtic Name: (2S)-2-(2,4-dichlorophenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium Openeye Name: (2S)-2-(2,4-dichlorophenyl)-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-ium CAS Name: (2S)-2-(2,4-dichlorophenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium IUPAC Name: (2S)-2-(2,4-dichlorophenyl)-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium Traditional Name: (2S)-2-(2,4-dichlorophenyl)-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-ium Formula: C19H14Cl2NS2+ MolecularWeight: 391.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2[NH+]=C1C3=CC=CS3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2[NH+]=C1C3=CC=CS3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H13Cl2NS2/c20-12-7-8-13(14(21)10-12)19-11-16(17-6-3-9-23-17)22-15-4-1-2-5-18(15)24-19/h1-10,19H,11H2/p+1/t19-/m0/s1