[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-benzamido-3-phenyl-propanoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid [2-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-18-15-22(19(2)30(18)27-28-13-14-35-27)24(31)17-34-26(33)23(16-20-9-5-3-6-10-20)29-25(32)21-11-7-4-8-12-21/h3-15,23H,16-17H2,1-2H3,(H,29,32)