[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H23N3O4S/c23-16(22-19(25)20-13-6-2-1-3-7-13)12-26-18(24)11-10-17-21-14-8-4-5-9-15(14)27-17/h4-5,8-9,13H,1-3,6-7,10-12H2,(H2,20,22,23,25)