2-[(3Z)-2-oxidanylidene-3-(pyridin-4-ylmethylidene)-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(3Z)-2-oxidanylidene-3-(pyridin-4-ylmethylidene)-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3Z)-2-oxo-3-(4-pyridylmethylene)indolin-4-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3Z)-2-oxo-3-(pyridin-4-ylmethylidene)-1H-indol-4-yl]ethyl ester IUPAC Name: 2-[(3Z)-2-oxo-3-(pyridin-4-ylmethylidene)-1H-indol-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3Z)-2-keto-3-(4-pyridylmethylene)indolin-4-yl]ethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C3C(=CC=C2)NC(=O)C3=CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=C\3C(=CC=C2)NC(=O)/C3=C\C4=CC=NC=C4

InChI

InChI=1S/C23H20N2O4S/c1-16-5-7-19(8-6-16)30(27,28)29-14-11-18-3-2-4-21-22(18)20(23(26)25-21)15-17-9-12-24-13-10-17/h2-10,12-13,15H,11,14H2,1H3,(H,25,26)/b20-15-