tert-butyl 2,2-dimethyl-4-(4-phenyl-1,5-benzothiazepin-2-yl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl 2,2-dimethyl-4-(4-phenyl-1,5-benzothiazepin-2-yl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl 2,2-dimethyl-4-(4-phenyl-1,5-benzothiazepin-2-yl)oxazolidine-3-carboxylate CAS Name: 2,2-dimethyl-4-(4-phenyl-1,5-benzothiazepin-2-yl)-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,2-dimethyl-4-(4-phenyl-1,5-benzothiazepin-2-yl)-1,3-oxazolidine-3-carboxylate Traditional Name: 2,2-dimethyl-4-(4-phenyl-1,5-benzothiazepin-2-yl)oxazolidine-3-carboxylic acid tert-butyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(CO1)C2=CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N(C(CO1)C2=CC(=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H28N2O3S/c1-24(2,3)30-23(28)27-20(16-29-25(27,4)5)22-15-19(17-11-7-6-8-12-17)26-18-13-9-10-14-21(18)31-22/h6-15,20H,16H2,1-5H3