[2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate Openeye Name: [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl 3-indol-1-ylpropanoate CAS Name: 3-(1-indolyl)propanoic acid [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-indol-1-ylpropanoate Traditional Name: 3-indol-1-ylpropionic acid [2-(N-acetyl-2-chloro-4,6-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)CCN3C=CC4=CC=CC=C43)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)COC(=O)CCN3C=CC4=CC=CC=C43)C(=O)C)C

InChI

InChI=1S/C25H24ClN3O3S/c1-16-12-17(2)24(21(26)13-16)29(18(3)30)25-27-20(15-33-25)14-32-23(31)9-11-28-10-8-19-6-4-5-7-22(19)28/h4-8,10,12-13,15H,9,11,14H2,1-3H3