tert-butyl 6-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 6-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]-1H-indole-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]-1H-indole-2-carboxylate CAS Name: 3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-6-phenylmethoxy-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenylmethoxy-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxylate Traditional Name: 6-benzoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]-1H-indole-2-carboxylic acid tert-butyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4CN(SC4)C5=CN=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(N1)C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4CN(SC4)C5=CN=CC=C5

InChI

InChI=1S/C29H29N3O4S/c1-29(2,3)36-28(34)26-25(27(33)20-16-32(37-18-20)21-10-7-13-30-15-21)23-12-11-22(14-24(23)31-26)35-17-19-8-5-4-6-9-19/h4-15,20,31H,16-18H2,1-3H3