ethyl 2-[2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C16H16N4O6S2 MolecularWeight: 424.45144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O6S2/c1-3-26-13(21)7-10-8-28-16(17-10)19-15(27)18-14(22)9-4-5-12(25-2)11(6-9)20(23)24/h4-6,8H,3,7H2,1-2H3,(H2,17,18,19,22,27)