N-[(3R,4S)-3-(4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]thiazol-2-ylcarbonylamino)-1-methanoyl-piperidin-4-yl]-N'-(5-chloranylpyridin-2-yl)ethanediamide

Systemtic Name: N-[(3R,4S)-3-(4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]thiazol-2-ylcarbonylamino)-1-methanoyl-piperidin-4-yl]-N'-(5-chloranylpyridin-2-yl)ethanediamide Openeye Name: N-[(3R,4S)-3-(4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d]thiazole-2-carbonylamino)-1-formyl-4-piperidyl]-N'-(5-chloro-2-pyridyl)oxamide CAS Name: N-[(3R,4S)-3-[[4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d]thiazol-2-yl(oxo)methyl]amino]-1-formyl-4-piperidinyl]-N'-(5-chloro-2-pyridinyl)oxamide IUPAC Name: N-[(3R,4S)-3-(4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]thiazole-2-carbonylamino)-1-formylpiperidin-4-yl]-N'-(5-chloropyridin-2-yl)oxamide Traditional Name: N-[(3R,4S)-3-(4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d]thiazole-2-carbonylamino)-1-formyl-4-piperidyl]-N'-(5-chloro-2-pyridyl)oxamide Formula: C20H23ClN6O5S MolecularWeight: 494.95182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1NC(=O)C(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3=NC4CCOCC4S3)C=O

Isomeric SMILES

C1CN(C[C@H]([C@H]1NC(=O)C(=O)NC2=NC=C(C=C2)Cl)NC(=O)C3=NC4CCOCC4S3)C=O

InChI

InChI=1S/C20H23ClN6O5S/c21-11-1-2-16(22-7-11)26-18(30)17(29)23-12-3-5-27(10-28)8-14(12)24-19(31)20-25-13-4-6-32-9-15(13)33-20/h1-2,7,10,12-15H,3-6,8-9H2,(H,23,29)(H,24,31)(H,22,26,30)/t12-,13?,14+,15?/m0/s1