methyl (2S)-2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)methyleneamino]-3-phenyl-propionic acid methyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N=CC2C(=O)NC(=S)NC2=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N=CC2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C15H15N3O4S/c1-22-14(21)11(7-9-5-3-2-4-6-9)16-8-10-12(19)17-15(23)18-13(10)20/h2-6,8,10-11H,7H2,1H3,(H2,17,18,19,20,23)/t11-/m0/s1