prop-2-ynyl 4-[4-[(5-nitro-1H-indazol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(5-nitro-1H-indazol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(5-nitro-1H-indazol-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[(5-nitro-1H-indazol-3-yl)amino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(5-nitro-1H-indazol-3-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-nitro-1H-indazol-3-yl)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C20H18N6O5S MolecularWeight: 454.45912

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NC3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5S/c1-2-9-31-20(28)25-7-5-12(6-8-25)19-21-16(11-32-19)18(27)22-17-14-10-13(26(29)30)3-4-15(14)23-24-17/h1,3-4,10-12H,5-9H2,(H2,22,23,24,27)