ethyl 4-methyl-2-(3-nitro-4-propan-2-ylsulfanyl-phenyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(3-nitro-4-propan-2-ylsulfanyl-phenyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(4-isopropylsulfanyl-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[3-nitro-4-(propan-2-ylthio)phenyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3-nitro-4-propan-2-ylsulfanylphenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(isopropylthio)-3-nitro-phenyl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)SC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)SC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O4S2/c1-5-22-16(19)14-10(4)17-15(24-14)11-6-7-13(23-9(2)3)12(8-11)18(20)21/h6-9H,5H2,1-4H3