methyl 3-[2-azanylethanoyl(ethanoyl)amino]-4-oxidanylidene-3-(2-phenyl-1,3-dioxolan-2-yl)butanimidothioate

Systemtic Name: methyl 3-[2-azanylethanoyl(ethanoyl)amino]-4-oxidanylidene-3-(2-phenyl-1,3-dioxolan-2-yl)butanimidothioate Openeye Name: methyl 3-[acetyl-(2-aminoacetyl)amino]-4-oxo-3-(2-phenyl-1,3-dioxolan-2-yl)butanimidothioate CAS Name: 3-[acetyl-(2-amino-1-oxoethyl)amino]-4-oxo-3-(2-phenyl-1,3-dioxolan-2-yl)butanimidothioic acid methyl ester IUPAC Name: methyl 3-[acetyl-(2-aminoacetyl)amino]-4-oxo-3-(2-phenyl-1,3-dioxolan-2-yl)butanimidothioate Traditional Name: 3-[acetyl(glycyl)amino]-4-keto-3-(2-phenyl-1,3-dioxolan-2-yl)thiobutyrimidic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(=O)CN)C(CC(=N)SC)(C=O)C1(OCCO1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N(C(=O)CN)C(CC(=N)SC)(C=O)C1(OCCO1)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3O5S/c1-13(23)21(16(24)11-19)17(12-22,10-15(20)27-2)18(25-8-9-26-18)14-6-4-3-5-7-14/h3-7,12,20H,8-11,19H2,1-2H3