ethyl 3-ethyl-4-[(3-nitrophenyl)carbonylamino]-2-sulfanylidene-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-[(3-nitrophenyl)carbonylamino]-2-sulfanylidene-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[(3-nitrobenzoyl)amino]-2-thioxo-thiazole-5-carboxylate CAS Name: 3-ethyl-4-[[(3-nitrophenyl)-oxomethyl]amino]-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[(3-nitrobenzoyl)amino]-2-sulfanylidene-1,3-thiazole-5-carboxylate Traditional Name: 3-ethyl-4-[(3-nitrobenzoyl)amino]-2-thioxo-4-thiazoline-5-carboxylic acid ethyl ester Formula: C15H15N3O5S2 MolecularWeight: 381.4267

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5S2/c1-3-17-12(11(25-15(17)24)14(20)23-4-2)16-13(19)9-6-5-7-10(8-9)18(21)22/h5-8H,3-4H2,1-2H3,(H,16,19)