S-[2-[(triphenylmethyl)amino]ethyl] 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate

Systemtic Name: S-[2-[(triphenylmethyl)amino]ethyl] 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate Openeye Name: S-[2-(tritylamino)ethyl] 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate CAS Name: 2-[(4-hydroxyanilino)-oxomethyl]-1-pyrrolidinecarbothioic acid S-[2-[(triphenylmethyl)amino]ethyl] ester IUPAC Name: S-[2-(tritylamino)ethyl] 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioate Traditional Name: 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carbothioic acid S-[2-(tritylamino)ethyl] ester Formula: C33H33N3O3S MolecularWeight: 551.69842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)SCCNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O

Isomeric SMILES

C1CC(N(C1)C(=O)SCCNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O

InChI

InChI=1S/C33H33N3O3S/c37-29-20-18-28(19-21-29)35-31(38)30-17-10-23-36(30)32(39)40-24-22-34-33(25-11-4-1-5-12-25,26-13-6-2-7-14-26)27-15-8-3-9-16-27/h1-9,11-16,18-21,30,34,37H,10,17,22-24H2,(H,35,38)