2-[3-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-[(1,1-dioxo-3-thiolanyl)amino]-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-[(1,1-diketothiolan-3-yl)amino]-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CS(=O)(=O)CC1NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H16ClN3O5S/c17-14-13(10-4-2-1-3-5-10)20(8-12(21)22)16(23)15(19-14)18-11-6-7-26(24,25)9-11/h1-5,11H,6-9H2,(H,18,19)(H,21,22)