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

Systemtic Name: ethyl 5-azanyl-1-[4-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(1,1-dioxothiolan-3-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(1,1-diketothiolan-3-yl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3)N

InChI

InChI=1S/C17H20N4O5S/c1-2-26-17(23)14-9-19-21(15(14)18)13-5-3-11(4-6-13)16(22)20-12-7-8-27(24,25)10-12/h3-6,9,12H,2,7-8,10,18H2,1H3,(H,20,22)