O-[3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] 2-methylbenzenecarbothioate

Systemtic Name: O-[3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxidanylidene-1H-quinoxalin-6-yl]phenyl] 2-methylbenzenecarbothioate Openeye Name: O-[3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid O-[3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] ester IUPAC Name: O-[3-methoxy-4-[2,2,4-trimethyl-5-[(2-methyl-5-nitrophenoxy)methyl]-3-oxo-1H-quinoxalin-6-yl]phenyl] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid O-[4-[3-keto-2,2,4-trimethyl-5-[(2-methyl-5-nitro-phenoxy)methyl]-1H-quinoxalin-6-yl]-3-methoxy-phenyl] ester Formula: C34H33N3O6S MolecularWeight: 611.70732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OC(=S)C5=CC=CC=C5C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=C(C=CC3=C2N(C(=O)C(N3)(C)C)C)C4=C(C=C(C=C4)OC(=S)C5=CC=CC=C5C)OC

InChI

InChI=1S/C34H33N3O6S/c1-20-9-7-8-10-24(20)32(44)43-23-13-14-26(30(18-23)41-6)25-15-16-28-31(36(5)33(38)34(3,4)35-28)27(25)19-42-29-17-22(37(39)40)12-11-21(29)2/h7-18,35H,19H2,1-6H3