(2R)-2-[3-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate

Systemtic Name: (2R)-2-[3-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Openeye Name: (2R)-2-[3-[(3S)-2-oxoazepan-3-yl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoate CAS Name: (2R)-2-[3-[[(3S)-2-oxo-3-azepanyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate IUPAC Name: (2R)-2-[3-[(3S)-2-oxoazepan-3-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Traditional Name: (2R)-2-[3-[[(3S)-2-ketoazepan-3-yl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionate Formula: C15H17N4O3S2- MolecularWeight: 365.45048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C(=NN=C1SC2CCCCNC2=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)[O-])N1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=CS3

InChI

InChI=1S/C15H18N4O3S2/c1-9(14(21)22)19-12(10-6-4-8-23-10)17-18-15(19)24-11-5-2-3-7-16-13(11)20/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,20)(H,21,22)/p-1/t9-,11+/m1/s1