3-(cyclohexylamino)-2-[[6-(methylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(cyclohexylamino)-2-[[6-(methylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-(cyclohexylamino)-2-[[6-(methylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-3-oxo-propanoic acid CAS Name: 3-(cyclohexylamino)-2-[[[6-(methylamino)-1,3-benzothiazol-2-yl]thio]methyl]-3-oxopropanoic acid IUPAC Name: 3-(cyclohexylamino)-2-[[6-(methylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-3-oxopropanoic acid Traditional Name: 3-(cyclohexylamino)-3-keto-2-[[[6-(methylamino)-1,3-benzothiazol-2-yl]thio]methyl]propionic acid Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)N=C(S2)SCC(C(=O)NC3CCCCC3)C(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)N=C(S2)SCC(C(=O)NC3CCCCC3)C(=O)O

InChI

InChI=1S/C18H23N3O3S2/c1-19-12-7-8-14-15(9-12)26-18(21-14)25-10-13(17(23)24)16(22)20-11-5-3-2-4-6-11/h7-9,11,13,19H,2-6,10H2,1H3,(H,20,22)(H,23,24)