ethyl 2-[2-[(4-nitrophenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-nitrophenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-nitrobenzoyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-nitrobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-nitrobenzoyl)thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C15H14N4O5S2 MolecularWeight: 394.42546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5S2/c1-2-24-12(20)7-10-8-26-15(16-10)18-14(25)17-13(21)9-3-5-11(6-4-9)19(22)23/h3-6,8H,2,7H2,1H3,(H2,16,17,18,21,25)