S-[(2R)-3-azanyl-2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-oxidanylidene-propyl] propanethioate

Systemtic Name: S-[(2R)-3-azanyl-2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-oxidanylidene-propyl] propanethioate Openeye Name: S-[(2R)-3-amino-2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-oxo-propyl] propanethioate CAS Name: propanethioic acid S-[(2R)-3-amino-2-[(4-but-2-ynoxyphenyl)sulfonyl-[2-(4-morpholinyl)ethyl]amino]-3-oxopropyl] ester IUPAC Name: S-[(2R)-3-amino-2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-3-oxopropyl] propanethioate Traditional Name: propanethioic acid S-[(2R)-3-amino-2-[(4-but-2-ynoxyphenyl)sulfonyl-(2-morpholinoethyl)amino]-3-keto-propyl] ester Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(C(=O)N)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

Isomeric SMILES

CCC(=O)SC[C@@H](C(=O)N)N(CCN1CCOCC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC

InChI

InChI=1S/C22H31N3O6S2/c1-3-5-14-31-18-6-8-19(9-7-18)33(28,29)25(11-10-24-12-15-30-16-13-24)20(22(23)27)17-32-21(26)4-2/h6-9,20H,4,10-17H2,1-2H3,(H2,23,27)/t20-/m0/s1