propyl 4-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]acetyl]amino]benzoic acid propyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C26H24N4O4S/c1-3-13-34-26(33)18-9-11-21(12-10-18)29-23(31)16-35-25-19(15-27)14-22(17(2)28-25)24(32)30-20-7-5-4-6-8-20/h4-12,14H,3,13,16H2,1-2H3,(H,29,31)(H,30,32)