4-[(E)-2-(2,2-dimethyl-5H-1,5-benzothiazepin-4-yl)ethenyl]-2-methoxy-phenol

Systemtic Name: 4-[(E)-2-(2,2-dimethyl-5H-1,5-benzothiazepin-4-yl)ethenyl]-2-methoxy-phenol Openeye Name: 4-[(E)-2-(2,2-dimethyl-5H-1,5-benzothiazepin-4-yl)vinyl]-2-methoxy-phenol CAS Name: 4-[(E)-2-(2,2-dimethyl-5H-1,5-benzothiazepin-4-yl)ethenyl]-2-methoxyphenol IUPAC Name: 4-[(E)-2-(2,2-dimethyl-5H-1,5-benzothiazepin-4-yl)ethenyl]-2-methoxyphenol Traditional Name: 4-[(E)-2-(2,2-dimethyl-5H-1,5-benzothiazepin-4-yl)vinyl]-2-methoxy-phenol Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(NC2=CC=CC=C2S1)C=CC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1(C=C(NC2=CC=CC=C2S1)/C=C/C3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C20H21NO2S/c1-20(2)13-15(21-16-6-4-5-7-19(16)24-20)10-8-14-9-11-17(22)18(12-14)23-3/h4-13,21-22H,1-3H3/b10-8+