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

Systemtic Name: [2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-oxo-ethyl] 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-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] 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid [2-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-14-11-18(15(2)25(14)22-23-9-10-30-22)20(27)13-29-21(28)12-19(24-16(3)26)17-7-5-4-6-8-17/h4-11,19H,12-13H2,1-3H3,(H,24,26)