methyl (2S)-2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(S2)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C14H16N4O3S2/c1-21-12(20)10(7-9-5-3-2-4-6-9)16-11(19)8-22-14-18-17-13(15)23-14/h2-6,10H,7-8H2,1H3,(H2,15,17)(H,16,19)/t10-/m0/s1