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

Systemtic Name: S-[3-[[(2R)-4-methylsulfanyl-1-oxidanylidene-1-pyrrolidin-1-yl-butan-2-yl]amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[2-benzyl-3-[[(1R)-3-methylsulfanyl-1-(pyrrolidine-1-carbonyl)propyl]amino]-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[(2R)-4-(methylthio)-1-oxo-1-(1-pyrrolidinyl)butan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-[[(2R)-4-methylsulfanyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]amino]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-3-keto-3-[[(1R)-3-(methylthio)-1-(pyrrolidine-1-carbonyl)propyl]amino]propyl] ester Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)N2CCCC2

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)N2CCCC2

InChI

InChI=1S/C21H30N2O3S2/c1-16(24)28-15-18(14-17-8-4-3-5-9-17)20(25)22-19(10-13-27-2)21(26)23-11-6-7-12-23/h3-5,8-9,18-19H,6-7,10-15H2,1-2H3,(H,22,25)/t18?,19-/m1/s1