tert-butyl 3-[4-(2-azanyl-1-oxidanyl-ethyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]-2-(9H-carbazol-2-yloxy)propanoate

Systemtic Name: tert-butyl 3-[4-(2-azanyl-1-oxidanyl-ethyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]-2-(9H-carbazol-2-yloxy)propanoate Openeye Name: tert-butyl 3-[4-(2-amino-1-hydroxy-ethyl)-2-thioxo-1,3-benzoxazol-3-yl]-2-(9H-carbazol-2-yloxy)propanoate CAS Name: 3-[4-(2-amino-1-hydroxyethyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]-2-(9H-carbazol-2-yloxy)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-amino-1-hydroxyethyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]-2-(9H-carbazol-2-yloxy)propanoate Traditional Name: 3-[4-(2-amino-1-hydroxy-ethyl)-2-thioxo-1,3-benzoxazol-3-yl]-2-(9H-carbazol-2-yloxy)propionic acid tert-butyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN1C2=C(C=CC=C2OC1=S)C(CN)O)OC3=CC4=C(C=C3)C5=CC=CC=C5N4

Isomeric SMILES

CC(C)(C)OC(=O)C(CN1C2=C(C=CC=C2OC1=S)C(CN)O)OC3=CC4=C(C=C3)C5=CC=CC=C5N4

InChI

InChI=1S/C28H29N3O5S/c1-28(2,3)36-26(33)24(15-31-25-19(22(32)14-29)8-6-10-23(25)35-27(31)37)34-16-11-12-18-17-7-4-5-9-20(17)30-21(18)13-16/h4-13,22,24,30,32H,14-15,29H2,1-3H3