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

Systemtic Name: 6,7-dimethyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C20H19N3O2S3 MolecularWeight: 429.57876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCCC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCCC4=CC=CS4)C

InChI

InChI=1S/C20H19N3O2S3/c1-12-8-16-14(10-18(24)25-17(16)9-13(12)2)11-27-20-23-22-19(28-20)21-6-5-15-4-3-7-26-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,22)