phenyl 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O4S3/c1-23-15-9-5-6-13(12-15)18-16-19-20-17(26-16)25-10-11-27(21,22)24-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,19)