ethyl (6R)-2-[(3,5-dinitrophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-2-[(3,5-dinitrophenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[(3,5-dinitrobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[(3,5-dinitrobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(3,5-dinitrobenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7S/c1-3-11-5-6-15-16(7-11)31-19(17(15)20(25)30-4-2)21-18(24)12-8-13(22(26)27)10-14(9-12)23(28)29/h8-11H,3-7H2,1-2H3,(H,21,24)/t11-/m1/s1