2,2-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]-3H-1,5-benzothiazepin-5-ium

Systemtic Name: 2,2-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]-3H-1,5-benzothiazepin-5-ium Openeye Name: 2,2-dimethyl-4-[(E)-2-(2-thienyl)vinyl]-3H-1,5-benzothiazepin-5-ium CAS Name: 2,2-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]-3H-1,5-benzothiazepin-5-ium IUPAC Name: 2,2-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]-3H-1,5-benzothiazepin-5-ium Traditional Name: 2,2-dimethyl-4-[(E)-2-(2-thienyl)vinyl]-3H-1,5-benzothiazepin-5-ium Formula: C17H18NS2+ MolecularWeight: 300.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=[NH+]C2=CC=CC=C2S1)C=CC3=CC=CS3)C

Isomeric SMILES

CC1(CC(=[NH+]C2=CC=CC=C2S1)/C=C/C3=CC=CS3)C

InChI

InChI=1S/C17H17NS2/c1-17(2)12-13(9-10-14-6-5-11-19-14)18-15-7-3-4-8-16(15)20-17/h3-11H,12H2,1-2H3/p+1/b10-9+