tert-butyl 7-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate

Systemtic Name: tert-butyl 7-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: tert-butyl 7-benzyloxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate CAS Name: 3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-7-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-phenylmethoxy-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate Traditional Name: 7-benzoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-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)N1C=C(C2=C1C(=CC=C2)OCC3=CC=CC=C3)C(=O)C4CN(SC4)C5=CN=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C(=CC=C2)OCC3=CC=CC=C3)C(=O)C4CN(SC4)C5=CN=CC=C5

InChI

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