[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC1NC(=O)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H19N3O4S/c21-14(20-17(23)18-11-8-9-11)10-24-16(22)7-3-6-15-19-12-4-1-2-5-13(12)25-15/h1-2,4-5,11H,3,6-10H2,(H2,18,20,21,23)