ethyl 5-azanyl-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[(3S)-1,1-dioxo-3-thiolanyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[(3S)-1,1-diketothiolan-3-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2CCS(=O)(=O)C2)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)[C@H]2CCS(=O)(=O)C2)N

InChI

InChI=1S/C10H15N3O4S/c1-2-17-10(14)8-5-12-13(9(8)11)7-3-4-18(15,16)6-7/h5,7H,2-4,6,11H2,1H3/t7-/m0/s1