methyl 4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: methyl 4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine-7-carboxylate Openeye Name: methyl 4-[(E)-2-(4-dimethylaminophenyl)vinyl]-2,2-dimethyl-3H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine-7-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2,2-dimethyl-3H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-[(E)-2-(4-dimethylaminophenyl)vinyl]-2,2-dimethyl-3H-1,5-benzothiazepine-7-carboxylic acid methyl ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NC2=C(S1)C=CC(=C2)C(=O)OC)C=CC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1(CC(=NC2=C(S1)C=CC(=C2)C(=O)OC)/C=C/C3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C23H26N2O2S/c1-23(2)15-18(10-6-16-7-11-19(12-8-16)25(3)4)24-20-14-17(22(26)27-5)9-13-21(20)28-23/h6-14H,15H2,1-5H3/b10-6+