ethyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)butanoate

Systemtic Name: ethyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)butanoate Openeye Name: ethyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)butanoate CAS Name: 3-[[(1,2-benzoxazol-3-ylamino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)butanoate Traditional Name: 3-(indoxazen-3-ylthiocarbamoylamino)butyric acid ethyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)NC1=NOC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)NC1=NOC2=CC=CC=C21

InChI

InChI=1S/C14H17N3O3S/c1-3-19-12(18)8-9(2)15-14(21)16-13-10-6-4-5-7-11(10)20-17-13/h4-7,9H,3,8H2,1-2H3,(H2,15,16,17,21)