ethyl 2-[2-(4-nitrophenyl)sulfanylethanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-nitrophenyl)sulfanylethanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-nitrophenyl)thio]acetyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O5S2/c1-2-28-19(25)18-17(13-6-4-3-5-7-13)22-20(30-18)21-16(24)12-29-15-10-8-14(9-11-15)23(26)27/h3-11H,2,12H2,1H3,(H,21,22,24)