ethyl 6-methyl-2-[(3-nitrophenyl)carbonylamino]thieno[2,3-d][1,3]thiazole-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-[(3-nitrophenyl)carbonylamino]thieno[2,3-d][1,3]thiazole-5-carboxylate Openeye Name: ethyl 6-methyl-2-[(3-nitrobenzoyl)amino]thieno[2,3-d]thiazole-5-carboxylate CAS Name: 6-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-thieno[2,3-d]thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(3-nitrobenzoyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate Traditional Name: 6-methyl-2-[(3-nitrobenzoyl)amino]thieno[2,3-d]thiazole-5-carboxylic acid ethyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N3O5S2/c1-3-24-15(21)12-8(2)11-14(25-12)18-16(26-11)17-13(20)9-5-4-6-10(7-9)19(22)23/h4-7H,3H2,1-2H3,(H,17,18,20)