methyl 3-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(3-ethyl-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-ethyl-7-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S/c1-4-15-11-16-9-8-14(2)10-19(16)24-21(15)28-13-20(25)23-18-7-5-6-17(12-18)22(26)27-3/h5-12H,4,13H2,1-3H3,(H,23,25)