2-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(3,4-dimethyl-6-oxo-pyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(3,4-dimethyl-6-oxo-1-pyrano[2,3-c]pyrazolyl)ethyl ester IUPAC Name: 2-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6-keto-3,4-dimethyl-pyrano[2,3-c]pyrazol-1-yl)ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=C(C(=CC(=O)O3)C)C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=C(C(=CC(=O)O3)C)C(=N2)C

InChI

InChI=1S/C17H18N2O5S/c1-11-4-6-14(7-5-11)25(21,22)23-9-8-19-17-16(13(3)18-19)12(2)10-15(20)24-17/h4-7,10H,8-9H2,1-3H3