2-diethylaminoethyl 4-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-1-methyl-4-quinolyl)thio]acetyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

InChI

InChI=1S/C25H29N3O4S/c1-4-28(5-2)14-15-32-25(31)18-10-12-19(13-11-18)26-23(29)17-33-22-16-24(30)27(3)21-9-7-6-8-20(21)22/h6-13,16H,4-5,14-15,17H2,1-3H3,(H,26,29)