methyl 5-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-1,2,3-thiadiazole-4-carboxylate

Systemtic Name: methyl 5-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-1,2,3-thiadiazole-4-carboxylate Openeye Name: methyl 5-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiadiazole-4-carboxylate CAS Name: 5-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-thiadiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]thiadiazole-4-carboxylate Traditional Name: 5-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]thiadiazole-4-carboxylic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=C(N=NS3)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC3=C(N=NS3)C(=O)OC

InChI

InChI=1S/C19H19N3O6S/c1-3-4-5-11-8-16(24)28-14-9-12(6-7-13(11)14)27-10-15(23)20-18-17(19(25)26-2)21-22-29-18/h6-9H,3-5,10H2,1-2H3,(H,20,23)