(3S,6S)-6-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate

Systemtic Name: (3S,6S)-6-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylate Openeye Name: (3S,6S)-6-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylate CAS Name: (3S,6S)-6-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylate IUPAC Name: (3S,6S)-6-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate Traditional Name: (3S,6S)-5-keto-6-[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thiomorpholine-3-carboxylate Formula: C14H14N3O6S- MolecularWeight: 352.34246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC(CS2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H](CS2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6S/c1-7-2-3-8(10(4-7)17(22)23)15-12(18)5-11-13(19)16-9(6-24-11)14(20)21/h2-4,9,11H,5-6H2,1H3,(H,15,18)(H,16,19)(H,20,21)/p-1/t9-,11+/m1/s1