ethyl 2-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-sulfanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-sulfanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-thioxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-sulfanylidene-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-[(4-cyanophenyl)methyl]-1-methyl-2-sulfanylidenequinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[3-(4-cyanobenzyl)-1-methyl-2-thioxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid ethyl ester Formula: C30H25N5O4S2 MolecularWeight: 583.6806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=S)C(=N2)CC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=S)C(=N2)CC3=CC=C(C=C3)C#N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C30H25N5O4S2/c1-3-39-28(36)19-35(41(37,38)27-8-4-6-22-7-5-15-32-29(22)27)23-13-14-26-24(17-23)33-25(30(40)34(26)2)16-20-9-11-21(18-31)12-10-20/h4-15,17H,3,16,19H2,1-2H3