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

Systemtic Name: ethyl 2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(5-nitrobenzothiophene-2-carbonyl)amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O5S2/c1-2-29-20(26)18-17(12-6-4-3-5-7-12)22-21(31-18)23-19(25)16-11-13-10-14(24(27)28)8-9-15(13)30-16/h3-11H,2H2,1H3,(H,22,23,25)