2,2-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-3H-1,5-benzothiazepine

Systemtic Name: 2,2-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-3H-1,5-benzothiazepine Openeye Name: 2,2-dimethyl-4-[(E)-2-(4-nitrophenyl)vinyl]-3H-1,5-benzothiazepine CAS Name: 2,2-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-3H-1,5-benzothiazepine IUPAC Name: 2,2-dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-3H-1,5-benzothiazepine Traditional Name: 2,2-dimethyl-4-[(E)-2-(4-nitrophenyl)vinyl]-3H-1,5-benzothiazepine Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NC2=CC=CC=C2S1)C=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=NC2=CC=CC=C2S1)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O2S/c1-19(2)13-15(20-17-5-3-4-6-18(17)24-19)10-7-14-8-11-16(12-9-14)21(22)23/h3-12H,13H2,1-2H3/b10-7+