ethyl 5-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-methyl-isothiazole-4-carboxylate CAS Name: 5-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methyl-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C16H12ClN3O5S2 MolecularWeight: 425.86658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O5S2/c1-3-25-16(22)11-7(2)19-27-15(11)18-14(21)13-12(17)9-5-4-8(20(23)24)6-10(9)26-13/h4-6H,3H2,1-2H3,(H,18,21)