S-[3-(5-anthracen-1-yl-3-azanyl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)propyl] ethanethioate

Systemtic Name: S-[3-(5-anthracen-1-yl-3-azanyl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)propyl] ethanethioate Openeye Name: S-[3-[3-amino-5-(1-anthryl)-3-isopropyl-6,6-dimethyl-1,2,4-trioxan-5-yl]propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[3-amino-5-(1-anthracenyl)-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl]propyl] ester IUPAC Name: S-[3-(3-amino-5-anthracen-1-yl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[3-amino-5-(1-anthryl)-3-isopropyl-6,6-dimethyl-1,2,4-trioxan-5-yl]propyl] ester Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(OC(C(OO1)(C)C)(CCCSC(=O)C)C2=CC=CC3=CC4=CC=CC=C4C=C32)N

Isomeric SMILES

CC(C)C1(OC(C(OO1)(C)C)(CCCSC(=O)C)C2=CC=CC3=CC4=CC=CC=C4C=C32)N

InChI

InChI=1S/C27H33NO4S/c1-18(2)27(28)30-26(25(4,5)31-32-27,14-9-15-33-19(3)29)24-13-8-12-22-16-20-10-6-7-11-21(20)17-23(22)24/h6-8,10-13,16-18H,9,14-15,28H2,1-5H3