S-[3-[[(2R)-4-methylsulfanyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-[[(2R)-4-methylsulfanyl-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-[[(1R)-3-methylsulfanyl-1-(morpholine-4-carbonyl)propyl]amino]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[(2R)-4-(methylthio)-1-(4-morpholinyl)-1-oxobutan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-[[(2R)-4-methylsulfanyl-1-morpholin-4-yl-1-oxobutan-2-yl]amino]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-[[(1R)-3-(methylthio)-1-(morpholine-4-carbonyl)propyl]amino]propyl] ester Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)N2CCOCC2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)N2CCOCC2

InChI

InChI=1S/C21H30N2O4S2/c1-16(24)29-15-18(14-17-6-4-3-5-7-17)20(25)22-19(8-13-28-2)21(26)23-9-11-27-12-10-23/h3-7,18-19H,8-15H2,1-2H3,(H,22,25)/t18?,19-/m1/s1