6,7-dimethyl-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4CCCO4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC4CCCO4)C

InChI

InChI=1S/C19H21N3O3S2/c1-11-6-15-13(8-17(23)25-16(15)7-12(11)2)10-26-19-22-21-18(27-19)20-9-14-4-3-5-24-14/h6-8,14H,3-5,9-10H2,1-2H3,(H,20,21)