ethyl 2-[2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S2/c1-3-17(20(27)25-21-24-15(12-29-21)10-19(26)28-4-2)30-18-11-16(22-13-23-18)14-8-6-5-7-9-14/h5-9,11-13,17H,3-4,10H2,1-2H3,(H,24,25,27)