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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H23N3O4S/c1-12(2)9-10-19-18(24)21-15(22)11-25-17(23)8-7-16-20-13-5-3-4-6-14(13)26-16/h3-6,12H,7-11H2,1-2H3,(H2,19,21,22,24)