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

Systemtic Name: tert-butyl 6-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate; ethanedioic acid Openeye Name: tert-butyl 6-benzyloxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate; oxalic acid CAS Name: oxalic acid; 3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-6-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenylmethoxy-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate; oxalic acid Traditional Name: 6-benzoxy-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid tert-butyl ester; oxalic acid Formula: C31H31N3O8S MolecularWeight: 605.65814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O4S.C2H2O4/c1-29(2,3)36-28(34)31-17-25(27(33)21-16-32(37-19-21)22-10-7-13-30-15-22)24-12-11-23(14-26(24)31)35-18-20-8-5-4-6-9-20;3-1(4)2(5)6/h4-15,17,21H,16,18-19H2,1-3H3;(H,3,4)(H,5,6)