methyl 4-azanyl-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 4-azanyl-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-amino-3-(3-nitrophenyl)-2-thioxo-thiazole-5-carboxylate CAS Name: 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 4-amino-3-(3-nitrophenyl)-2-thioxo-4-thiazoline-5-carboxylic acid methyl ester Formula: C11H9N3O4S2 MolecularWeight: 311.33686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(N(C(=S)S1)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C11H9N3O4S2/c1-18-10(15)8-9(12)13(11(19)20-8)6-3-2-4-7(5-6)14(16)17/h2-5H,12H2,1H3