ethyl 2-[3-(3-nitro-4-piperidin-1-yl-phenyl)carbonyl-2-(3-nitro-4-piperidin-1-yl-phenyl)carbonylimino-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-(3-nitro-4-piperidin-1-yl-phenyl)carbonyl-2-(3-nitro-4-piperidin-1-yl-phenyl)carbonylimino-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-[3-nitro-4-(1-piperidyl)benzoyl]-2-[3-nitro-4-(1-piperidyl)benzoyl]imino-thiazol-4-yl]acetate CAS Name: 2-[3-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-2-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]imino-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-nitro-4-piperidin-1-ylbenzoyl)-2-(3-nitro-4-piperidin-1-ylbenzoyl)imino-1,3-thiazol-4-yl]acetate Traditional Name: 2-[3-(3-nitro-4-piperidino-benzoyl)-2-(3-nitro-4-piperidino-benzoyl)imino-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C31H34N6O8S MolecularWeight: 650.70206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])N1C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])N1C(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C31H34N6O8S/c1-2-45-28(38)19-23-20-46-31(32-29(39)21-9-11-24(26(17-21)36(41)42)33-13-5-3-6-14-33)35(23)30(40)22-10-12-25(27(18-22)37(43)44)34-15-7-4-8-16-34/h9-12,17-18,20H,2-8,13-16,19H2,1H3