methyl 4-[2,5-dimethyl-3-[2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H24N4O3S2/c1-15-5-9-19(10-6-15)26-24-27-28-25(34-24)33-14-22(30)21-13-16(2)29(17(21)3)20-11-7-18(8-12-20)23(31)32-4/h5-13H,14H2,1-4H3,(H,26,27)