S-[3-[(2-azanyl-3-prop-2-enylsulfanyl-propanoyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate

Systemtic Name: S-[3-[(2-azanyl-3-prop-2-enylsulfanyl-propanoyl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] ethanethioate Openeye Name: S-[3-[(3-allylsulfanyl-2-amino-propanoyl)amino]-2-benzyl-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[[2-amino-1-oxo-3-(prop-2-enylthio)propyl]amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[3-[(2-amino-3-prop-2-enylsulfanylpropanoyl)amino]-2-benzyl-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[[3-(allylthio)-2-amino-propanoyl]amino]-2-benzyl-3-keto-propyl] ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(=O)C(CSCC=C)N

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(=O)C(CSCC=C)N

InChI

InChI=1S/C18H24N2O3S2/c1-3-9-24-12-16(19)18(23)20-17(22)15(11-25-13(2)21)10-14-7-5-4-6-8-14/h3-8,15-16H,1,9-12,19H2,2H3,(H,20,22,23)