methyl 5-ethyl-2-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 5-ethyl-2-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 5-ethyl-2-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]thiazole-4-carboxylate CAS Name: 5-ethyl-2-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 5-ethyl-2-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]thiazole-4-carboxylic acid methyl ester Formula: C28H26N4O7S3 MolecularWeight: 626.72364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=C(N=C(S1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H26N4O7S3/c1-3-24-25(28(34)39-2)30-27(41-24)19-11-9-18(10-12-19)26(33)31-42(37,38)21-13-14-22(23(17-21)32(35)36)29-15-16-40-20-7-5-4-6-8-20/h4-14,17,29H,3,15-16H2,1-2H3,(H,31,33)