ethyl 2-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate

Systemtic Name: ethyl 2-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate Openeye Name: ethyl 2-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate CAS Name: 2-[[[[4-(dimethylamino)-1,2-benzoxazol-3-yl]amino]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]propanoate Traditional Name: 2-[[4-(dimethylamino)indoxazen-3-yl]thiocarbamoylamino]propionic acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-5-21-14(20)9(2)16-15(23)17-13-12-10(19(3)4)7-6-8-11(12)22-18-13/h6-9H,5H2,1-4H3,(H2,16,17,18,23)