methyl 4-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamothioylamino]butanoate Traditional Name: 4-[[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H19N3O4S/c1-9-14(20)18-11-8-10(5-6-12(11)22-9)17-15(23)16-7-3-4-13(19)21-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,20)(H2,16,17,23)/t9-/m0/s1