ethyl 4-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4S/c1-3-33-27(31)19-9-11-20(12-10-19)28-25(30)17-34-26-16-23(18-7-5-4-6-8-18)22-14-13-21(32-2)15-24(22)29-26/h4-16H,3,17H2,1-2H3,(H,28,30)