(2R)-4-(furan-2-yl)-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium

Systemtic Name: (2R)-4-(furan-2-yl)-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium Openeye Name: (2R)-4-(2-furyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-ium CAS Name: (2R)-4-(2-furanyl)-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium IUPAC Name: (2R)-4-(furan-2-yl)-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-5-ium Traditional Name: (2R)-4-(2-furyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-ium Formula: C17H14NOS2+ MolecularWeight: 312.42916

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2[NH+]=C1C3=CC=CO3)C4=CC=CS4

Isomeric SMILES

C1[C@@H](SC2=CC=CC=C2[NH+]=C1C3=CC=CO3)C4=CC=CS4

InChI

InChI=1S/C17H13NOS2/c1-2-7-15-12(5-1)18-13(14-6-3-9-19-14)11-17(21-15)16-8-4-10-20-16/h1-10,17H,11H2/p+1/t17-/m1/s1