[6-[[5-(cyclopropylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-methylbenzoate

Systemtic Name: [6-[[5-(cyclopropylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-methylbenzoate Openeye Name: [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-pyran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxopyran-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [6-[[[5-(cyclopropanecarbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-keto-pyran-3-yl] ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=C(S3)NC(=O)C4CC4

InChI

InChI=1S/C20H17N3O5S2/c1-11-2-4-13(5-3-11)18(26)28-16-9-27-14(8-15(16)24)10-29-20-23-22-19(30-20)21-17(25)12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3,(H,21,22,25)