4-[(3S)-3-(N'-ethyl-N-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3S)-3-(N'-ethyl-N-phenyl-carbamimidoyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3S)-3-(N'-ethyl-N-phenyl-carbamimidoyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3S)-3-[[anilino(ethylimino)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3S)-3-(N'-ethyl-N-phenylcarbamimidoyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3S)-3-[(N'-ethyl-N-phenyl-amidino)thio]-2,5-diketo-pyrrolidino]benzoate Formula: C20H18N3O4S- MolecularWeight: 396.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=CC=CC=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCN=C(NC1=CC=CC=C1)S[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-2-21-20(22-14-6-4-3-5-7-14)28-16-12-17(24)23(18(16)25)15-10-8-13(9-11-15)19(26)27/h3-11,16H,2,12H2,1H3,(H,21,22)(H,26,27)/p-1/t16-/m0/s1