ethyl 2-[(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-nitro-5-propan-2-yl-1,2-oxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-isopropyl-4-nitro-isoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-nitro-5-propan-2-yl-3-isoxazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitro-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-isopropyl-4-nitro-isoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NOC(=C3[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H21N3O6S/c1-4-26-18(23)12-10-7-5-6-8-11(10)28-17(12)19-16(22)13-14(21(24)25)15(9(2)3)27-20-13/h9H,4-8H2,1-3H3,(H,19,22)