methyl (2R)-4-[(4-nitrophenyl)carbamothioyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-nitrophenyl)carbamothioyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(4-nitrophenyl)carbamothioyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-nitroanilino)-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-nitrophenyl)carbamothioyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(4-nitrophenyl)thiocarbamoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S2/c1-20-12(17)11-8-15(6-7-22-11)13(21)14-9-2-4-10(5-3-9)16(18)19/h2-5,11H,6-8H2,1H3,(H,14,21)/t11-/m1/s1