ethyl 2-[2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-quinolylsulfanyl)butanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-quinolin-2-ylsulfanylbutanoylamino)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(2-quinolylthio)butanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21N3O3S2/c1-3-16(28-17-10-9-13-7-5-6-8-15(13)22-17)19(25)23-20-21-14(12-27-20)11-18(24)26-4-2/h5-10,12,16H,3-4,11H2,1-2H3,(H,21,23,25)