6-ethyl-1-oxidanylidene-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 6-ethyl-1-oxidanylidene-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-ethyl-1-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)isochromane-3-carboxamide CAS Name: 6-ethyl-1-oxo-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-ethyl-1-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-ethyl-1-keto-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]isochroman-3-carboxamide Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)CC)C(=O)O2

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2CC3=C(C=CC(=C3)CC)C(=O)O2

InChI

InChI=1S/C17H19N3O3S2/c1-3-7-24-17-20-19-16(25-17)18-14(21)13-9-11-8-10(4-2)5-6-12(11)15(22)23-13/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,18,19,21)