[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(4-methylphenoxy)methyl]-4-thiazolecarboxylic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O5S/c1-16-7-9-18(10-8-16)30-13-21-25-19(15-32-21)23(29)31-14-22(28)26(12-11-20(24)27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,24,27)