tert-butyl 3-(5-cyclopropyl-1,3-thiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate

Systemtic Name: tert-butyl 3-(5-cyclopropyl-1,3-thiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate Openeye Name: tert-butyl 3-(5-cyclopropylthiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate CAS Name: 3-(5-cyclopropyl-2-thiazolyl)-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(5-cyclopropyl-1,3-thiazol-2-yl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylate Traditional Name: 3-(5-cyclopropylthiazol-2-yl)-1-m-anisyl-indole-2-carboxylic acid tert-butyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)OC)C4=NC=C(S4)C5CC5

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)OC)C4=NC=C(S4)C5CC5

InChI

InChI=1S/C27H28N2O3S/c1-27(2,3)32-26(30)24-23(25-28-15-22(33-25)18-12-13-18)20-10-5-6-11-21(20)29(24)16-17-8-7-9-19(14-17)31-4/h5-11,14-15,18H,12-13,16H2,1-4H3