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

Systemtic Name: ethyl 6-methyl-2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thieno[2,3-d][1,3]thiazole-5-carboxylate Openeye Name: ethyl 6-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thieno[2,3-d]thiazole-5-carboxylate CAS Name: 6-methyl-2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-thieno[2,3-d]thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxylate Traditional Name: 6-methyl-2-[(5-nitrobenzothiophene-2-carbonyl)amino]thieno[2,3-d]thiazole-5-carboxylic acid ethyl ester Formula: C18H13N3O5S3 MolecularWeight: 447.50792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(S2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C18H13N3O5S3/c1-3-26-17(23)14-8(2)13-16(28-14)20-18(29-13)19-15(22)12-7-9-6-10(21(24)25)4-5-11(9)27-12/h4-7H,3H2,1-2H3,(H,19,20,22)