ethyl 3-[(2S)-2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3-benzoxazol-5-yl]propanoate

Systemtic Name: ethyl 3-[(2S)-2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3-benzoxazol-5-yl]propanoate Openeye Name: ethyl 3-[(2S)-2-(5-nitro-2-thienyl)-2,3-dihydro-1,3-benzoxazol-5-yl]propanoate CAS Name: 3-[(2S)-2-(5-nitro-2-thiophenyl)-2,3-dihydro-1,3-benzoxazol-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-2-(5-nitrothiophen-2-yl)-2,3-dihydro-1,3-benzoxazol-5-yl]propanoate Traditional Name: 3-[(2S)-2-(5-nitro-2-thienyl)-2,3-dihydro-1,3-benzoxazol-5-yl]propionic acid ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC2=C(C=C1)OC(N2)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=CC2=C(C=C1)O[C@H](N2)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-2-22-15(19)8-4-10-3-5-12-11(9-10)17-16(23-12)13-6-7-14(24-13)18(20)21/h3,5-7,9,16-17H,2,4,8H2,1H3/t16-/m0/s1