ethyl 2-[2-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-[(8-methoxy-4-methyl-2-quinolyl)thio]butanoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC3=C(C=CC=C3OC)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC2=NC3=C(C=CC=C3OC)C(=C2)C

InChI

InChI=1S/C22H25N3O4S2/c1-5-17(21(27)25-22-23-14(12-30-22)11-19(26)29-6-2)31-18-10-13(3)15-8-7-9-16(28-4)20(15)24-18/h7-10,12,17H,5-6,11H2,1-4H3,(H,23,25,27)