methyl 4-[[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H21N3O6S/c1-11-8-17(24)27-14-9-12(5-6-13(11)14)26-10-15(22)20-21-18(28)19-7-3-4-16(23)25-2/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,22)(H2,19,21,28)