ethyl (2E)-2-(4-nitrophenyl)-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-(4-nitrophenyl)-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-(4-nitrophenyl)acetate CAS Name: (2E)-2-(4-nitrophenyl)-2-[3-(phenylmethyl)-1,3-thiazinan-2-ylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-(4-nitrophenyl)acetate Traditional Name: (2E)-2-(3-benzyl-1,3-thiazinan-2-ylidene)-2-(4-nitrophenyl)acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(CCCS1)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/1\N(CCCS1)CC2=CC=CC=C2)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(24)19(17-9-11-18(12-10-17)23(25)26)20-22(13-6-14-28-20)15-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-15H2,1H3/b20-19+