quinolin-8-ylmethyl 3-[2-[(5S)-2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate

Systemtic Name: quinolin-8-ylmethyl 3-[2-[(5S)-2-(diethylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: 8-quinolylmethyl 3-[[2-[(5S)-2-(diethylamino)-4-oxo-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5S)-2-(diethylamino)-4-oxo-5-thiazolyl]-1-oxoethyl]amino]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-[[2-[(5S)-2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5S)-2-(diethylamino)-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoic acid 8-quinolylmethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCN(CC)C1=NC(=O)[C@@H](S1)CC(=O)NC2=CC=CC(=C2)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H26N4O4S/c1-3-30(4-2)26-29-24(32)21(35-26)15-22(31)28-20-12-6-9-18(14-20)25(33)34-16-19-10-5-8-17-11-7-13-27-23(17)19/h5-14,21H,3-4,15-16H2,1-2H3,(H,28,31)/t21-/m0/s1