methyl 4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thiazole-5-carboxylic acid methyl ester Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H11N3O5S2/c1-7-12(14(20)23-2)25-15(16-7)17-13(19)11-6-8-5-9(18(21)22)3-4-10(8)24-11/h3-6H,1-2H3,(H,16,17,19)