6-ethyl-7-oxidanyl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC=C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NCC=C)O

InChI

InChI=1S/C17H17N3O3S2/c1-3-5-18-16-19-20-17(25-16)24-9-11-7-15(22)23-14-8-13(21)10(4-2)6-12(11)14/h3,6-8,21H,1,4-5,9H2,2H3,(H,18,19)